methanamine;[2-(3-methylphenyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone;molecular hydrogen

C18H30N2O — CID 142165493

IUPACmethanamine;[2-(3-methylphenyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone;molecular hydrogen
SMILESCN.Cc1cccc(C2CC2C(=O)N2CCC(C)CC2)c1.[H][H]
InChIInChI=1S/C17H23NO.CH5N.H2/c1-12-6-8-18(9-7-12)17(19)16-11-15(16)14-5-3-4-13(2)10-14;1-2;/h3-5,10,12,15-16H,6-9,11H2,1-2H3;2H2,1H3;1H
InChIKeyTYIGXWBPUHKAHH-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.18
Rot. Bonds2

About methanamine;[2-(3-methylphenyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone;molecular hydrogen

methanamine;[2-(3-methylphenyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone;molecular hydrogen (PubChem CID 142165493) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is methanamine;[2-(3-methylphenyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone;molecular hydrogen.

Molecular Properties

Compound Namemethanamine;[2-(3-methylphenyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone;molecular hydrogen
PubChem CID142165493
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Namemethanamine;[2-(3-methylphenyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone;molecular hydrogen
SMILESCN.Cc1cccc(C2CC2C(=O)N2CCC(C)CC2)c1.[H][H]
InChIInChI=1S/C17H23NO.CH5N.H2/c1-12-6-8-18(9-7-12)17(19)16-11-15(16)14-5-3-4-13(2)10-14;1-2;/h3-5,10,12,15-16H,6-9,11H2,1-2H3;2H2,1H3;1H
InChIKeyTYIGXWBPUHKAHH-UHFFFAOYSA-N
XLogP3.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(3-methylphenyl)cyclopropyl]methanone
CID 124853640
trans-(1S,2S)-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 28912189
(4-aminopiperidin-1-yl)-[2-(3-chlorophenyl)cyclopropyl]methanone
CID 119374366
(2S)-1-[(1S,2R)-2-(3-methylphenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 129435444
(2R)-1-[(1S,2R)-2-(3-methylphenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 99849301
[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-[(1S,2S)-2-(3-methylphenyl)cyclopropyl]methanone
CID 95613710
[4-(aminomethyl)piperidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone
CID 119423325
(5R)-7-[(1R,2R)-2-(3-methylphenyl)cyclopropanecarbonyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 95773336
1-[2-(3-bromophenyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 119166076
[4-(1-aminoethyl)piperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81478205
[(1S,2R)-2-(3-methylphenyl)cyclopropyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 129427757
methyl 1-[2-(3-bromophenyl)cyclopropanecarbonyl]piperidine-4-carboxylate
CID 47087641

Frequently Asked Questions

What is the IUPAC name of methanamine;[2-(3-methylphenyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone;molecular hydrogen?
The IUPAC name of methanamine;[2-(3-methylphenyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone;molecular hydrogen (CID 142165493) is methanamine;[2-(3-methylphenyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone;molecular hydrogen.
What is the SMILES notation for methanamine;[2-(3-methylphenyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone;molecular hydrogen?
The canonical SMILES for methanamine;[2-(3-methylphenyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone;molecular hydrogen is CN.Cc1cccc(C2CC2C(=O)N2CCC(C)CC2)c1.[H][H].
What is the InChIKey of methanamine;[2-(3-methylphenyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone;molecular hydrogen?
The InChIKey is TYIGXWBPUHKAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO.CH5N.H2/c1-12-6-8-18(9-7-12)17(19)16-11-15(16)14-5-3-4-13(2)10-14;1-2;/h3-5,10,12,15-16H,6-9,11H2,1-2H3;2H2,1H3;1H.
What are the key properties of methanamine;[2-(3-methylphenyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone;molecular hydrogen?
methanamine;[2-(3-methylphenyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone;molecular hydrogen has a molecular weight of 290.45 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;[2-(3-methylphenyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone;molecular hydrogen is sourced from PubChem (CID 142165493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).