3-amino-N-[3-(dipropylamino)propyl]cyclohexane-1-carboxamide

C16H33N3O — CID 119861214

IUPAC3-amino-N-[3-(dipropylamino)propyl]cyclohexane-1-carboxamide
SMILESCCCN(CCC)CCCNC(=O)C1CCCC(N)C1
InChIInChI=1S/C16H33N3O/c1-3-10-19(11-4-2)12-6-9-18-16(20)14-7-5-8-15(17)13-14/h14-15H,3-13,17H2,1-2H3,(H,18,20)
InChIKeyUNNGOGCYXHREHH-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.13
Rot. Bonds9

About 3-amino-N-[3-(dipropylamino)propyl]cyclohexane-1-carboxamide

3-amino-N-[3-(dipropylamino)propyl]cyclohexane-1-carboxamide (PubChem CID 119861214) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 3-amino-N-[3-(dipropylamino)propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(dipropylamino)propyl]cyclohexane-1-carboxamide
PubChem CID119861214
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name3-amino-N-[3-(dipropylamino)propyl]cyclohexane-1-carboxamide
SMILESCCCN(CCC)CCCNC(=O)C1CCCC(N)C1
InChIInChI=1S/C16H33N3O/c1-3-10-19(11-4-2)12-6-9-18-16(20)14-7-5-8-15(17)13-14/h14-15H,3-13,17H2,1-2H3,(H,18,20)
InChIKeyUNNGOGCYXHREHH-UHFFFAOYSA-N
XLogP2.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.13
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

3-amino-N-[3-(dipropylamino)propyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119861213
3-amino-N-butylcyclohexane-1-carboxamide
CID 62778073
3-amino-N-[4-(diethylamino)butyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119852537
3-amino-N-pentylcyclohexane-1-carboxamide
CID 62775416
N-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide
CID 119725928
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119687746
3-amino-N-(4-aminobutyl)cyclohexane-1-carboxamide
CID 63046447
3-amino-N-(4-ethoxybutyl)cyclohexane-1-carboxamide
CID 119722404
3-amino-N-[2-[ethyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119866077
3-amino-N-(3-methylsulfanylpropyl)cyclohexane-1-carboxamide;hydrochloride
CID 119706929
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]cyclopentane-1-carboxamide
CID 66009397
methyl 4-[(3-aminocyclohexanecarbonyl)amino]butanoate;hydrochloride
CID 119684755

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(dipropylamino)propyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[3-(dipropylamino)propyl]cyclohexane-1-carboxamide (CID 119861214) is 3-amino-N-[3-(dipropylamino)propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(dipropylamino)propyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[3-(dipropylamino)propyl]cyclohexane-1-carboxamide is CCCN(CCC)CCCNC(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-[3-(dipropylamino)propyl]cyclohexane-1-carboxamide?
The InChIKey is UNNGOGCYXHREHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-3-10-19(11-4-2)12-6-9-18-16(20)14-7-5-8-15(17)13-14/h14-15H,3-13,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-N-[3-(dipropylamino)propyl]cyclohexane-1-carboxamide?
3-amino-N-[3-(dipropylamino)propyl]cyclohexane-1-carboxamide has a molecular weight of 283.46 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(dipropylamino)propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119861214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).