4-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclohexane-1-carboxamide

C17H33N3O — CID 79519601

IUPAC4-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclohexane-1-carboxamide
SMILESCC(C)C(CNC(=O)C1CCC(CN)CC1)N1CCCC1
InChIInChI=1S/C17H33N3O/c1-13(2)16(20-9-3-4-10-20)12-19-17(21)15-7-5-14(11-18)6-8-15/h13-16H,3-12,18H2,1-2H3,(H,19,21)
InChIKeyJEYHPNXYYVJVHG-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.99
Rot. Bonds6

About 4-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclohexane-1-carboxamide

4-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclohexane-1-carboxamide (PubChem CID 79519601) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclohexane-1-carboxamide
PubChem CID79519601
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name4-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclohexane-1-carboxamide
SMILESCC(C)C(CNC(=O)C1CCC(CN)CC1)N1CCCC1
InChIInChI=1S/C17H33N3O/c1-13(2)16(20-9-3-4-10-20)12-19-17(21)15-7-5-14(11-18)6-8-15/h13-16H,3-12,18H2,1-2H3,(H,19,21)
InChIKeyJEYHPNXYYVJVHG-UHFFFAOYSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopropanecarboxamide
CID 60763644
4-(aminomethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 62992457
N-(3-methyl-2-piperidin-1-ylbutyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110402891
(2S)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrrolidine-2-carboxamide
CID 61273549
4-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
CID 62806250
N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 52608858
4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide
CID 61275431
4-ethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-2-carboxamide
CID 114428726
4-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide
CID 80543957
4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
CID 104963779
5-amino-4-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide
CID 82012268
1-cyclohexyl-3-(3-methyl-2-piperidin-1-ylbutyl)urea
CID 110402862

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclohexane-1-carboxamide (CID 79519601) is 4-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclohexane-1-carboxamide is CC(C)C(CNC(=O)C1CCC(CN)CC1)N1CCCC1.
What is the InChIKey of 4-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclohexane-1-carboxamide?
The InChIKey is JEYHPNXYYVJVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-13(2)16(20-9-3-4-10-20)12-19-17(21)15-7-5-14(11-18)6-8-15/h13-16H,3-12,18H2,1-2H3,(H,19,21).
What are the key properties of 4-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclohexane-1-carboxamide?
4-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclohexane-1-carboxamide has a molecular weight of 295.47 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79519601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).