3-(2-aminoethyl)-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide

C16H32N2O — CID 62806618

IUPAC3-(2-aminoethyl)-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)CN(C(=O)C1CCCC(CCN)C1)C(C)C
InChIInChI=1S/C16H32N2O/c1-12(2)11-18(13(3)4)16(19)15-7-5-6-14(10-15)8-9-17/h12-15H,5-11,17H2,1-4H3
InChIKeyASZHKJIBIUWRNM-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.03
Rot. Bonds6

About 3-(2-aminoethyl)-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide

3-(2-aminoethyl)-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 62806618) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID62806618
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name3-(2-aminoethyl)-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)CN(C(=O)C1CCCC(CCN)C1)C(C)C
InChIInChI=1S/C16H32N2O/c1-12(2)11-18(13(3)4)16(19)15-7-5-6-14(10-15)8-9-17/h12-15H,5-11,17H2,1-4H3
InChIKeyASZHKJIBIUWRNM-UHFFFAOYSA-N
XLogP3.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 82960840
3-amino-N-(2-methylpropyl)-N-propan-2-ylcyclopentane-1-carboxamide;hydrochloride
CID 119730925
3-(2-aminoethyl)-N-(2-hydroxyethyl)-N-propylcyclohexane-1-carboxamide
CID 62807652
3-(2-aminoethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclohexane-1-carboxamide
CID 62807128
3-amino-N,N-bis(2-methylpropyl)cyclohexane-1-carboxamide
CID 55134536
N-(2-methylpropyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 60944840
N-(2-aminoethyl)-N-propan-2-ylcyclohexanecarboxamide
CID 28707843
3-(2-aminoethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]cyclohexane-1-carboxamide
CID 62806950
3-(2-aminoethyl)-N-pentan-3-ylcyclohexane-1-carboxamide
CID 62808704
3-(2-aminoethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 62807667
[3-(2-aminoethyl)cyclohexyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 55115174
3-[cyclopropylmethyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784008

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 3-(2-aminoethyl)-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide (CID 62806618) is 3-(2-aminoethyl)-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 3-(2-aminoethyl)-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide is CC(C)CN(C(=O)C1CCCC(CCN)C1)C(C)C.
What is the InChIKey of 3-(2-aminoethyl)-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is ASZHKJIBIUWRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-12(2)11-18(13(3)4)16(19)15-7-5-6-14(10-15)8-9-17/h12-15H,5-11,17H2,1-4H3.
What are the key properties of 3-(2-aminoethyl)-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide?
3-(2-aminoethyl)-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 268.44 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 62806618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).