1-N'-[(1S,2S)-2-phenylmethoxycyclopentyl]ethene-1,1-diamine

C14H20N2O — CID 143473195

IUPAC1-N'-[(1S,2S)-2-phenylmethoxycyclopentyl]ethene-1,1-diamine
SMILESC=C(N)N[C@H]1CCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C14H20N2O/c1-11(15)16-13-8-5-9-14(13)17-10-12-6-3-2-4-7-12/h2-4,6-7,13-14,16H,1,5,8-10,15H2/t13-,14-/m0/s1
InChIKeyAXXSAHBPHPHXBJ-KBPBESRZSA-N
MW232.33 g/mol
LogP2.14
Rot. Bonds5

About 1-N'-[(1S,2S)-2-phenylmethoxycyclopentyl]ethene-1,1-diamine

1-N'-[(1S,2S)-2-phenylmethoxycyclopentyl]ethene-1,1-diamine (PubChem CID 143473195) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-N'-[(1S,2S)-2-phenylmethoxycyclopentyl]ethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-[(1S,2S)-2-phenylmethoxycyclopentyl]ethene-1,1-diamine
PubChem CID143473195
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-N'-[(1S,2S)-2-phenylmethoxycyclopentyl]ethene-1,1-diamine
SMILESC=C(N)N[C@H]1CCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C14H20N2O/c1-11(15)16-13-8-5-9-14(13)17-10-12-6-3-2-4-7-12/h2-4,6-7,13-14,16H,1,5,8-10,15H2/t13-,14-/m0/s1
InChIKeyAXXSAHBPHPHXBJ-KBPBESRZSA-N
XLogP2.14
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N'-[(1S,2S)-2-phenylmethoxycyclopentyl]ethene-1,1-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1R,2R)-N-methyl-2-phenylmethoxycyclopentan-1-amine
CID 58216107
N-(2-phenylmethoxycyclohexyl)prop-2-enamide
CID 139017249
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
cis-(1S,2R)-1-N-[(1S,2S)-2-phenylmethoxycyclohexyl]cyclopentane-1,2-diamine
CID 124857330
tert-butyl N-[(1S,2S)-2-phenylmethoxycyclopentyl]carbamate
CID 58216148
trans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide
CID 18681682
N-[[(1S,2S)-2-phenylmethoxycyclohexyl]carbamoylamino]formamide
CID 101365257
trans-(1R,2R)-N-ethyl-2-phenylmethoxycyclohexan-1-amine
CID 129030197
(2S)-2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine
CID 58651111
2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine
CID 21034227
2-(2-phenylmethoxycyclopentyl)acetic acid
CID 115040131
trans-(1S,2S)-2-aminocyclopentan-1-ol;trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine;hydrochloride
CID 159130348

Frequently Asked Questions

What is the IUPAC name of 1-N'-[(1S,2S)-2-phenylmethoxycyclopentyl]ethene-1,1-diamine?
The IUPAC name of 1-N'-[(1S,2S)-2-phenylmethoxycyclopentyl]ethene-1,1-diamine (CID 143473195) is 1-N'-[(1S,2S)-2-phenylmethoxycyclopentyl]ethene-1,1-diamine.
What is the SMILES notation for 1-N'-[(1S,2S)-2-phenylmethoxycyclopentyl]ethene-1,1-diamine?
The canonical SMILES for 1-N'-[(1S,2S)-2-phenylmethoxycyclopentyl]ethene-1,1-diamine is C=C(N)N[C@H]1CCC[C@@H]1OCc1ccccc1.
What is the InChIKey of 1-N'-[(1S,2S)-2-phenylmethoxycyclopentyl]ethene-1,1-diamine?
The InChIKey is AXXSAHBPHPHXBJ-KBPBESRZSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11(15)16-13-8-5-9-14(13)17-10-12-6-3-2-4-7-12/h2-4,6-7,13-14,16H,1,5,8-10,15H2/t13-,14-/m0/s1.
What are the key properties of 1-N'-[(1S,2S)-2-phenylmethoxycyclopentyl]ethene-1,1-diamine?
1-N'-[(1S,2S)-2-phenylmethoxycyclopentyl]ethene-1,1-diamine has a molecular weight of 232.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[(1S,2S)-2-phenylmethoxycyclopentyl]ethene-1,1-diamine is sourced from PubChem (CID 143473195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).