2-amino-5-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide

C16H31N3O — CID 65456243

IUPAC2-amino-5-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
SMILESCC1CCC(N)C(C(=O)NCC2CCN(C(C)C)C2)C1
InChIInChI=1S/C16H31N3O/c1-11(2)19-7-6-13(10-19)9-18-16(20)14-8-12(3)4-5-15(14)17/h11-15H,4-10,17H2,1-3H3,(H,18,20)
InChIKeyCQKIWVGVWCXXAJ-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.60
Rot. Bonds4

About 2-amino-5-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide

2-amino-5-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 65456243) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-amino-5-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-5-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
PubChem CID65456243
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-amino-5-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
SMILESCC1CCC(N)C(C(=O)NCC2CCN(C(C)C)C2)C1
InChIInChI=1S/C16H31N3O/c1-11(2)19-7-6-13(10-19)9-18-16(20)14-8-12(3)4-5-15(14)17/h11-15H,4-10,17H2,1-3H3,(H,18,20)
InChIKeyCQKIWVGVWCXXAJ-UHFFFAOYSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 114995517
4-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
CID 62806250
2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide
CID 106739669
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopentane-1-carboxamide
CID 119866673
2-amino-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 65456059
1-(aminomethyl)-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 80588146
2-amino-5-methyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 65455850
2-amino-5-methyl-N-[2-(3-methylbutoxy)ethyl]cyclohexane-1-carboxamide
CID 65454356
(2R)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-2-carboxamide
CID 103814104
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3-sulfanylpropanamide
CID 107027490
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azepane-1-carboxamide
CID 115596093
2-amino-N-hexan-3-yl-5-methylcyclohexane-1-carboxamide
CID 65455479

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-5-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide (CID 65456243) is 2-amino-5-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-5-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-5-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide is CC1CCC(N)C(C(=O)NCC2CCN(C(C)C)C2)C1.
What is the InChIKey of 2-amino-5-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is CQKIWVGVWCXXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-11(2)19-7-6-13(10-19)9-18-16(20)14-8-12(3)4-5-15(14)17/h11-15H,4-10,17H2,1-3H3,(H,18,20).
What are the key properties of 2-amino-5-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide?
2-amino-5-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 65456243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).