4-(aminomethyl)-N-[3-(diethylamino)propyl]cyclohexane-1-carboxamide

C15H31N3O — CID 55115127

IUPAC4-(aminomethyl)-N-[3-(diethylamino)propyl]cyclohexane-1-carboxamide
SMILESCCN(CC)CCCNC(=O)C1CCC(CN)CC1
InChIInChI=1S/C15H31N3O/c1-3-18(4-2)11-5-10-17-15(19)14-8-6-13(12-16)7-9-14/h13-14H,3-12,16H2,1-2H3,(H,17,19)
InChIKeySBICZXWAZRCENY-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.60
Rot. Bonds8

About 4-(aminomethyl)-N-[3-(diethylamino)propyl]cyclohexane-1-carboxamide

4-(aminomethyl)-N-[3-(diethylamino)propyl]cyclohexane-1-carboxamide (PubChem CID 55115127) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[3-(diethylamino)propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[3-(diethylamino)propyl]cyclohexane-1-carboxamide
PubChem CID55115127
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name4-(aminomethyl)-N-[3-(diethylamino)propyl]cyclohexane-1-carboxamide
SMILESCCN(CC)CCCNC(=O)C1CCC(CN)CC1
InChIInChI=1S/C15H31N3O/c1-3-18(4-2)11-5-10-17-15(19)14-8-6-13(12-16)7-9-14/h13-14H,3-12,16H2,1-2H3,(H,17,19)
InChIKeySBICZXWAZRCENY-UHFFFAOYSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(diethylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783797
4-(aminomethyl)-N-(3-aminopropyl)cyclohexane-1-carboxamide
CID 79527493
4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
CID 104963779
4-(aminomethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide;hydrochloride
CID 165437684
4-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]cyclohexane-1-carboxamide
CID 79526757
4-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide
CID 106310523
(2S,5R)-5-(aminomethyl)-N-[3-(diethylamino)propyl]oxolane-2-carboxamide
CID 120796832
3-amino-N-[4-(diethylamino)butyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119852537
N-[4-(diethylamino)butyl]piperidine-4-carboxamide;dihydrochloride
CID 119852526
4-[2-(diethylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784312
4-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclohexane-1-carboxamide
CID 79526623
4-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 62807115

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[3-(diethylamino)propyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[3-(diethylamino)propyl]cyclohexane-1-carboxamide (CID 55115127) is 4-(aminomethyl)-N-[3-(diethylamino)propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[3-(diethylamino)propyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[3-(diethylamino)propyl]cyclohexane-1-carboxamide is CCN(CC)CCCNC(=O)C1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[3-(diethylamino)propyl]cyclohexane-1-carboxamide?
The InChIKey is SBICZXWAZRCENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-3-18(4-2)11-5-10-17-15(19)14-8-6-13(12-16)7-9-14/h13-14H,3-12,16H2,1-2H3,(H,17,19).
What are the key properties of 4-(aminomethyl)-N-[3-(diethylamino)propyl]cyclohexane-1-carboxamide?
4-(aminomethyl)-N-[3-(diethylamino)propyl]cyclohexane-1-carboxamide has a molecular weight of 269.43 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[3-(diethylamino)propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 55115127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).