N-[1-(aminomethyl)-4-methylcyclohexyl]-N,4-dimethylpiperidine-1-carboxamide

C16H31N3O — CID 79160492

IUPACN-[1-(aminomethyl)-4-methylcyclohexyl]-N,4-dimethylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)N(C)C2(CN)CCC(C)CC2)CC1
InChIInChI=1S/C16H31N3O/c1-13-4-8-16(12-17,9-5-13)18(3)15(20)19-10-6-14(2)7-11-19/h13-14H,4-12,17H2,1-3H3
InChIKeyPUPOICCYQJXLOE-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.68
Rot. Bonds2

About N-[1-(aminomethyl)-4-methylcyclohexyl]-N,4-dimethylpiperidine-1-carboxamide

N-[1-(aminomethyl)-4-methylcyclohexyl]-N,4-dimethylpiperidine-1-carboxamide (PubChem CID 79160492) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-methylcyclohexyl]-N,4-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-methylcyclohexyl]-N,4-dimethylpiperidine-1-carboxamide
PubChem CID79160492
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-[1-(aminomethyl)-4-methylcyclohexyl]-N,4-dimethylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)N(C)C2(CN)CCC(C)CC2)CC1
InChIInChI=1S/C16H31N3O/c1-13-4-8-16(12-17,9-5-13)18(3)15(20)19-10-6-14(2)7-11-19/h13-14H,4-12,17H2,1-3H3
InChIKeyPUPOICCYQJXLOE-UHFFFAOYSA-N
XLogP2.68
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]-N-methylpiperidine-1-carboxamide
CID 79155705
1-(aminomethyl)-N,N,4-trimethylcyclohexan-1-amine
CID 9161377
[1-(aminomethyl)-4-methylcyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 113310414
2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 62006395
1-(aminomethyl)-N,N,4-trimethylcycloheptan-1-amine
CID 65085240
[2-(aminomethyl)oxolan-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 167756887
2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-cyclopropyl-N-methylacetamide
CID 62006209
[1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxypiperidin-1-yl)methanone
CID 115441480
N-(2-aminoethyl)-N-cyclopentyl-4-methylpiperidine-1-carboxamide
CID 79159728
N-[1-(aminomethyl)-4-methylcyclohexyl]-N-methylmorpholine-4-sulfonamide
CID 62010619
N,4-dimethyl-N-pentylpiperidine-1-carboxamide
CID 116654214
N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylpyrrolidine-1-carboxamide
CID 79161718

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-N,4-dimethylpiperidine-1-carboxamide?
The IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-N,4-dimethylpiperidine-1-carboxamide (CID 79160492) is N-[1-(aminomethyl)-4-methylcyclohexyl]-N,4-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-methylcyclohexyl]-N,4-dimethylpiperidine-1-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)-4-methylcyclohexyl]-N,4-dimethylpiperidine-1-carboxamide is CC1CCN(C(=O)N(C)C2(CN)CCC(C)CC2)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-methylcyclohexyl]-N,4-dimethylpiperidine-1-carboxamide?
The InChIKey is PUPOICCYQJXLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13-4-8-16(12-17,9-5-13)18(3)15(20)19-10-6-14(2)7-11-19/h13-14H,4-12,17H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-4-methylcyclohexyl]-N,4-dimethylpiperidine-1-carboxamide?
N-[1-(aminomethyl)-4-methylcyclohexyl]-N,4-dimethylpiperidine-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-methylcyclohexyl]-N,4-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 79160492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).