N-(3-aminopropyl)-1-methylcyclohexane-1-carboxamide

C11H22N2O — CID 106825990

IUPACN-(3-aminopropyl)-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)NCCCN)CCCCC1
InChIInChI=1S/C11H22N2O/c1-11(6-3-2-4-7-11)10(14)13-9-5-8-12/h2-9,12H2,1H3,(H,13,14)
InChIKeyFBDHWLDMNTZAMM-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.42
Rot. Bonds4

About N-(3-aminopropyl)-1-methylcyclohexane-1-carboxamide

N-(3-aminopropyl)-1-methylcyclohexane-1-carboxamide (PubChem CID 106825990) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-(3-aminopropyl)-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-1-methylcyclohexane-1-carboxamide
PubChem CID106825990
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-(3-aminopropyl)-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)NCCCN)CCCCC1
InChIInChI=1S/C11H22N2O/c1-11(6-3-2-4-7-11)10(14)13-9-5-8-12/h2-9,12H2,1H3,(H,13,14)
InChIKeyFBDHWLDMNTZAMM-UHFFFAOYSA-N
XLogP1.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-methylcyclohexane-1-carboxamide
CID 168924588
7-[(1-methylcyclohexanecarbonyl)amino]heptanoic acid
CID 106826162
N-(2-iodoethyl)-1-methylcyclohexane-1-carboxamide
CID 106829059
N-hex-5-ynyl-1-methylcyclohexane-1-carboxamide
CID 105056307
N-(3-amino-3-sulfanylidenepropyl)-1-methylcyclohexane-1-carboxamide
CID 106827346
ethyl 4-[(1-methylcyclopentanecarbonyl)amino]butanoate
CID 78909794
2-methyl-5-[(1-methylcyclohexanecarbonyl)amino]pentanoic acid
CID 106826432
N-[3-(2-chloroethoxy)propyl]-1-methylcyclohexane-1-carboxamide
CID 106306814
N-(2-cyanoethyl)-1-methylcyclohexane-1-carboxamide
CID 106827286
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylcyclopentane-1-carboxamide
CID 115365476
N-[(1-aminocyclohexyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 119404713
N-[2-(dimethylamino)ethyl]-1-methylcyclopentane-1-carboxamide;ethane
CID 142896714

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(3-aminopropyl)-1-methylcyclohexane-1-carboxamide (CID 106825990) is N-(3-aminopropyl)-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-1-methylcyclohexane-1-carboxamide is CC1(C(=O)NCCCN)CCCCC1.
What is the InChIKey of N-(3-aminopropyl)-1-methylcyclohexane-1-carboxamide?
The InChIKey is FBDHWLDMNTZAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(6-3-2-4-7-11)10(14)13-9-5-8-12/h2-9,12H2,1H3,(H,13,14).
What are the key properties of N-(3-aminopropyl)-1-methylcyclohexane-1-carboxamide?
N-(3-aminopropyl)-1-methylcyclohexane-1-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106825990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).