[(1R,2S)-2-(aminomethyl)-2-propylcyclopropyl]methanol;[(1S,2R)-2-(phenylmethoxymethyl)-1-propylcyclopropyl]methanamine

C23H40N2O2 — CID 159667984

IUPAC[(1R,2S)-2-(aminomethyl)-2-propylcyclopropyl]methanol;[(1S,2R)-2-(phenylmethoxymethyl)-1-propylcyclopropyl]methanamine
SMILESCCC[C@]1(CN)C[C@H]1CO.CCC[C@]1(CN)C[C@H]1COCc1ccccc1
InChIInChI=1S/C15H23NO.C8H17NO/c1-2-8-15(12-16)9-14(15)11-17-10-13-6-4-3-5-7-13;1-2-3-8(6-9)4-7(8)5-10/h3-7,14H,2,8-12,16H2,1H3;7,10H,2-6,9H2,1H3/t14-,15+;7-,8+/m00/s1
InChIKeyMTQUDJGWBFFFFP-MUZSLHHUSA-N
MW376.58 g/mol
LogP3.71
Rot. Bonds11

About [(1R,2S)-2-(aminomethyl)-2-propylcyclopropyl]methanol;[(1S,2R)-2-(phenylmethoxymethyl)-1-propylcyclopropyl]methanamine

[(1R,2S)-2-(aminomethyl)-2-propylcyclopropyl]methanol;[(1S,2R)-2-(phenylmethoxymethyl)-1-propylcyclopropyl]methanamine (PubChem CID 159667984) has the molecular formula C23H40N2O2 and a molecular weight of 376.58 g/mol. Its IUPAC name is [(1R,2S)-2-(aminomethyl)-2-propylcyclopropyl]methanol;[(1S,2R)-2-(phenylmethoxymethyl)-1-propylcyclopropyl]methanamine.

Molecular Properties

Compound Name[(1R,2S)-2-(aminomethyl)-2-propylcyclopropyl]methanol;[(1S,2R)-2-(phenylmethoxymethyl)-1-propylcyclopropyl]methanamine
PubChem CID159667984
Molecular FormulaC23H40N2O2
Molecular Weight376.58 g/mol
Exact Mass376.31
IUPAC Name[(1R,2S)-2-(aminomethyl)-2-propylcyclopropyl]methanol;[(1S,2R)-2-(phenylmethoxymethyl)-1-propylcyclopropyl]methanamine
SMILESCCC[C@]1(CN)C[C@H]1CO.CCC[C@]1(CN)C[C@H]1COCc1ccccc1
InChIInChI=1S/C15H23NO.C8H17NO/c1-2-8-15(12-16)9-14(15)11-17-10-13-6-4-3-5-7-13;1-2-3-8(6-9)4-7(8)5-10/h3-7,14H,2,8-12,16H2,1H3;7,10H,2-6,9H2,1H3/t14-,15+;7-,8+/m00/s1
InChIKeyMTQUDJGWBFFFFP-MUZSLHHUSA-N
XLogP3.71
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.58
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [(1R,2S)-2-(aminomethyl)-2-propylcyclopropyl]methanol;[(1S,2R)-2-(phenylmethoxymethyl)-1-propylcyclopropyl]methanamine with MolForge

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Related Compounds

2-[[(1S,2S)-1-amino-2-(phenylmethoxymethyl)cyclopropyl]methyl]isoindole-1,3-dione;2-[[(1R,2S)-2-(phenylmethoxymethyl)-1-propylcyclopropyl]methyl]isoindole-1,3-dione
CID 157126243
diethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1,1-dicarboxylate
CID 10946695
1-ethoxycarbonyl-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid
CID 85086376
cis-(1S,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropane-1-carbaldehyde
CID 90322673
tert-butyl N-[(1R,2R)-1-[(1,3-dioxoisoindol-2-yl)methyl]-2-(phenylmethoxymethyl)cyclopropyl]-N-ethylcarbamate;2-[[(1S,2R)-2-(phenylmethoxymethyl)-1-propylcyclopropyl]methyl]isoindole-1,3-dione
CID 159802757
[(1R,3R)-2,2-dibromo-3-propylcyclopropyl]methoxymethylbenzene
CID 164670390
(2,2-dimethyl-3-propylidenecyclobutyl)methoxymethylbenzene
CID 161112347
cis-ethyl (1R,2S)-1-[methoxy(methyl)carbamoyl]-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 90322670
bis(carbon dioxide);9-[2-ethyl-1-(9-hydroxynonyl)cyclopropyl]nonan-1-ol;9-[2-ethyl-1-(9-phenylmethoxynonyl)cyclopropyl]nonoxymethylbenzene
CID 161446507
[3,3-diethoxy-1-fluoro-2-(phenylmethoxymethyl)cyclobutyl]methanol
CID 67878928
[(1R,2R)-4,4-difluoro-2-(phenylmethoxymethyl)cyclohexyl]methanol
CID 25130204
cis-(1S,2S)-1-(ethylaminomethyl)-2-(phenylmethoxymethyl)cyclopropan-1-amine;N-[[(1R,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropyl]methyl]ethanamine
CID 157253761

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-(aminomethyl)-2-propylcyclopropyl]methanol;[(1S,2R)-2-(phenylmethoxymethyl)-1-propylcyclopropyl]methanamine?
The IUPAC name of [(1R,2S)-2-(aminomethyl)-2-propylcyclopropyl]methanol;[(1S,2R)-2-(phenylmethoxymethyl)-1-propylcyclopropyl]methanamine (CID 159667984) is [(1R,2S)-2-(aminomethyl)-2-propylcyclopropyl]methanol;[(1S,2R)-2-(phenylmethoxymethyl)-1-propylcyclopropyl]methanamine.
What is the SMILES notation for [(1R,2S)-2-(aminomethyl)-2-propylcyclopropyl]methanol;[(1S,2R)-2-(phenylmethoxymethyl)-1-propylcyclopropyl]methanamine?
The canonical SMILES for [(1R,2S)-2-(aminomethyl)-2-propylcyclopropyl]methanol;[(1S,2R)-2-(phenylmethoxymethyl)-1-propylcyclopropyl]methanamine is CCC[C@]1(CN)C[C@H]1CO.CCC[C@]1(CN)C[C@H]1COCc1ccccc1.
What is the InChIKey of [(1R,2S)-2-(aminomethyl)-2-propylcyclopropyl]methanol;[(1S,2R)-2-(phenylmethoxymethyl)-1-propylcyclopropyl]methanamine?
The InChIKey is MTQUDJGWBFFFFP-MUZSLHHUSA-N. The full InChI is InChI=1S/C15H23NO.C8H17NO/c1-2-8-15(12-16)9-14(15)11-17-10-13-6-4-3-5-7-13;1-2-3-8(6-9)4-7(8)5-10/h3-7,14H,2,8-12,16H2,1H3;7,10H,2-6,9H2,1H3/t14-,15+;7-,8+/m00/s1.
What are the key properties of [(1R,2S)-2-(aminomethyl)-2-propylcyclopropyl]methanol;[(1S,2R)-2-(phenylmethoxymethyl)-1-propylcyclopropyl]methanamine?
[(1R,2S)-2-(aminomethyl)-2-propylcyclopropyl]methanol;[(1S,2R)-2-(phenylmethoxymethyl)-1-propylcyclopropyl]methanamine has a molecular weight of 376.58 g/mol, XLogP of 3.71, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-(aminomethyl)-2-propylcyclopropyl]methanol;[(1S,2R)-2-(phenylmethoxymethyl)-1-propylcyclopropyl]methanamine is sourced from PubChem (CID 159667984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).