3-amino-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexane-1-carboxamide

C14H27N3O — CID 114138626

IUPAC3-amino-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexane-1-carboxamide
SMILESCC1C(N)CCCC1C(=O)NCC1CCCN1C
InChIInChI=1S/C14H27N3O/c1-10-12(6-3-7-13(10)15)14(18)16-9-11-5-4-8-17(11)2/h10-13H,3-9,15H2,1-2H3,(H,16,18)
InChIKeyQMGVMOZGHBSUDN-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.96
Rot. Bonds3

About 3-amino-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexane-1-carboxamide

3-amino-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 114138626) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexane-1-carboxamide
PubChem CID114138626
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-amino-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexane-1-carboxamide
SMILESCC1C(N)CCCC1C(=O)NCC1CCCN1C
InChIInChI=1S/C14H27N3O/c1-10-12(6-3-7-13(10)15)14(18)16-9-11-5-4-8-17(11)2/h10-13H,3-9,15H2,1-2H3,(H,16,18)
InChIKeyQMGVMOZGHBSUDN-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-3-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106019178
3-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylcyclohexane-1-carboxamide
CID 62783548
N-[(1-methylpyrrolidin-2-yl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 106022346
N-[(1-methylpyrrolidin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 113267465
3-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexane-1-carboxamide
CID 62781994
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 114995304
5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide
CID 106026289
1-amino-N-[(1-methylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 103814042
6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide
CID 106026312
2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106026291
N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-2-carboxamide
CID 103630206
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylcyclohexane-1-carboxamide
CID 62781980

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexane-1-carboxamide (CID 114138626) is 3-amino-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexane-1-carboxamide is CC1C(N)CCCC1C(=O)NCC1CCCN1C.
What is the InChIKey of 3-amino-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is QMGVMOZGHBSUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-10-12(6-3-7-13(10)15)14(18)16-9-11-5-4-8-17(11)2/h10-13H,3-9,15H2,1-2H3,(H,16,18).
What are the key properties of 3-amino-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexane-1-carboxamide?
3-amino-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 114138626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).