3-(3-aminopropyl)-N-tert-butylcyclohexane-1-carboxamide

C14H28N2O — CID 159180079

IUPAC3-(3-aminopropyl)-N-tert-butylcyclohexane-1-carboxamide
SMILESCC(C)(C)NC(=O)C1CCCC(CCCN)C1
InChIInChI=1S/C14H28N2O/c1-14(2,3)16-13(17)12-8-4-6-11(10-12)7-5-9-15/h11-12H,4-10,15H2,1-3H3,(H,16,17)
InChIKeyKMTUVMPMVXIGMJ-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.45
Rot. Bonds4

About 3-(3-aminopropyl)-N-tert-butylcyclohexane-1-carboxamide

3-(3-aminopropyl)-N-tert-butylcyclohexane-1-carboxamide (PubChem CID 159180079) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-(3-aminopropyl)-N-tert-butylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(3-aminopropyl)-N-tert-butylcyclohexane-1-carboxamide
PubChem CID159180079
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-(3-aminopropyl)-N-tert-butylcyclohexane-1-carboxamide
SMILESCC(C)(C)NC(=O)C1CCCC(CCCN)C1
InChIInChI=1S/C14H28N2O/c1-14(2,3)16-13(17)12-8-4-6-11(10-12)7-5-9-15/h11-12H,4-10,15H2,1-3H3,(H,16,17)
InChIKeyKMTUVMPMVXIGMJ-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)cyclohexane-1-carboxamide
CID 106098538
cis-(1R,3S)-N-tert-butyl-3-cyanocyclohexane-1-carboxamide
CID 130284939
3-(2-aminoethyl)-N-pentan-3-ylcyclohexane-1-carboxamide
CID 62808704
3-amino-N-(1-amino-2-cyclopropylpropan-2-yl)cyclohexane-1-carboxamide
CID 122080572
N-tert-butylcyclooctanecarboxamide
CID 65022804
3-(2-aminoethyl)-N-(cyclohexylmethyl)cyclohexane-1-carboxamide
CID 62808717
3-(4-aminobutyl)-N-(4-cyclohexyl-2-sulfanylbutyl)cycloheptane-1-carboxamide
CID 123778317
3-(2-aminoethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 62807667
3-cyclohexylpropan-1-amine;ethane
CID 143945055
4-amino-N-tert-butylcyclohexane-1-carboxamide;hydrochloride
CID 91668524
3-(2-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)cyclohexane-1-carboxamide
CID 64915853
3-(2-aminoethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 62808028

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-N-tert-butylcyclohexane-1-carboxamide?
The IUPAC name of 3-(3-aminopropyl)-N-tert-butylcyclohexane-1-carboxamide (CID 159180079) is 3-(3-aminopropyl)-N-tert-butylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-(3-aminopropyl)-N-tert-butylcyclohexane-1-carboxamide?
The canonical SMILES for 3-(3-aminopropyl)-N-tert-butylcyclohexane-1-carboxamide is CC(C)(C)NC(=O)C1CCCC(CCCN)C1.
What is the InChIKey of 3-(3-aminopropyl)-N-tert-butylcyclohexane-1-carboxamide?
The InChIKey is KMTUVMPMVXIGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-14(2,3)16-13(17)12-8-4-6-11(10-12)7-5-9-15/h11-12H,4-10,15H2,1-3H3,(H,16,17).
What are the key properties of 3-(3-aminopropyl)-N-tert-butylcyclohexane-1-carboxamide?
3-(3-aminopropyl)-N-tert-butylcyclohexane-1-carboxamide has a molecular weight of 240.39 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-N-tert-butylcyclohexane-1-carboxamide is sourced from PubChem (CID 159180079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).