4-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide

C17H34N2O — CID 102628514

IUPAC4-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)CN(C(=O)C1CCC(N)C(C)C1(C)C)C(C)C
InChIInChI=1S/C17H34N2O/c1-11(2)10-19(12(3)4)16(20)14-8-9-15(18)13(5)17(14,6)7/h11-15H,8-10,18H2,1-7H3
InChIKeyZYZFMWOGLTTYFQ-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.28
Rot. Bonds4

About 4-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide

4-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 102628514) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 4-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID102628514
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name4-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)CN(C(=O)C1CCC(N)C(C)C1(C)C)C(C)C
InChIInChI=1S/C17H34N2O/c1-11(2)10-19(12(3)4)16(20)14-8-9-15(18)13(5)17(14,6)7/h11-15H,8-10,18H2,1-7H3
InChIKeyZYZFMWOGLTTYFQ-UHFFFAOYSA-N
XLogP3.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2,2,3-trimethyl-N-propan-2-yl-N-propylcyclohexane-1-carboxamide
CID 102628342
4-amino-N-ethyl-N,2,2,3-tetramethylcyclohexane-1-carboxamide
CID 102628336
4-amino-N-(1-cyanopropan-2-yl)-N,2,2,3-tetramethylcyclohexane-1-carboxamide
CID 102628819
4-amino-N-methoxy-N,2,2,3-tetramethylcyclohexane-1-carboxamide
CID 102628653
2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-methylamino]butanoic acid
CID 102628725
methyl 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-propylamino]acetate
CID 102628522
2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-prop-2-enylamino]acetic acid
CID 102629017
4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629015
2-[[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]methyl]-3-methylbutanoic acid
CID 102628950
4-amino-N-methoxy-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628940
4-amino-N-(2-ethoxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629235
3-amino-N-(2-methylpropyl)-N-propan-2-ylcyclopentane-1-carboxamide;hydrochloride
CID 119730925

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide (CID 102628514) is 4-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide is CC(C)CN(C(=O)C1CCC(N)C(C)C1(C)C)C(C)C.
What is the InChIKey of 4-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is ZYZFMWOGLTTYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-11(2)10-19(12(3)4)16(20)14-8-9-15(18)13(5)17(14,6)7/h11-15H,8-10,18H2,1-7H3.
What are the key properties of 4-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide?
4-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 282.47 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 102628514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).