4-amino-2,2,3-trimethyl-N-propan-2-yl-N-propylcyclohexane-1-carboxamide

C16H32N2O — CID 102628342

IUPAC4-amino-2,2,3-trimethyl-N-propan-2-yl-N-propylcyclohexane-1-carboxamide
SMILESCCCN(C(=O)C1CCC(N)C(C)C1(C)C)C(C)C
InChIInChI=1S/C16H32N2O/c1-7-10-18(11(2)3)15(19)13-8-9-14(17)12(4)16(13,5)6/h11-14H,7-10,17H2,1-6H3
InChIKeyVPZJMKBOGFGDGU-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.03
Rot. Bonds4

About 4-amino-2,2,3-trimethyl-N-propan-2-yl-N-propylcyclohexane-1-carboxamide

4-amino-2,2,3-trimethyl-N-propan-2-yl-N-propylcyclohexane-1-carboxamide (PubChem CID 102628342) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 4-amino-2,2,3-trimethyl-N-propan-2-yl-N-propylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-2,2,3-trimethyl-N-propan-2-yl-N-propylcyclohexane-1-carboxamide
PubChem CID102628342
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name4-amino-2,2,3-trimethyl-N-propan-2-yl-N-propylcyclohexane-1-carboxamide
SMILESCCCN(C(=O)C1CCC(N)C(C)C1(C)C)C(C)C
InChIInChI=1S/C16H32N2O/c1-7-10-18(11(2)3)15(19)13-8-9-14(17)12(4)16(13,5)6/h11-14H,7-10,17H2,1-6H3
InChIKeyVPZJMKBOGFGDGU-UHFFFAOYSA-N
XLogP3.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

4-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 102628514
4-amino-N-ethyl-N,2,2,3-tetramethylcyclohexane-1-carboxamide
CID 102628336
methyl 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-propylamino]acetate
CID 102628522
4-amino-N-(1-cyanopropan-2-yl)-N,2,2,3-tetramethylcyclohexane-1-carboxamide
CID 102628819
2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-methylamino]butanoic acid
CID 102628725
4-amino-N-methoxy-N,2,2,3-tetramethylcyclohexane-1-carboxamide
CID 102628653
4-amino-2,2,3-trimethyl-N-propylsulfonylcyclohexane-1-carboxamide
CID 103307661
5-amino-2,4-dimethyl-N-propan-2-yl-N-propylcyclohexane-1-carboxamide
CID 102706516
4-amino-N-[2-(dimethylamino)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628173
4-amino-2,2,3-trimethyl-N-pentylcyclohexane-1-carboxamide
CID 102628205
4-amino-N-(2-ethoxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629235
2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-prop-2-enylamino]acetic acid
CID 102629017

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2,3-trimethyl-N-propan-2-yl-N-propylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-2,2,3-trimethyl-N-propan-2-yl-N-propylcyclohexane-1-carboxamide (CID 102628342) is 4-amino-2,2,3-trimethyl-N-propan-2-yl-N-propylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-2,2,3-trimethyl-N-propan-2-yl-N-propylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-2,2,3-trimethyl-N-propan-2-yl-N-propylcyclohexane-1-carboxamide is CCCN(C(=O)C1CCC(N)C(C)C1(C)C)C(C)C.
What is the InChIKey of 4-amino-2,2,3-trimethyl-N-propan-2-yl-N-propylcyclohexane-1-carboxamide?
The InChIKey is VPZJMKBOGFGDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-7-10-18(11(2)3)15(19)13-8-9-14(17)12(4)16(13,5)6/h11-14H,7-10,17H2,1-6H3.
What are the key properties of 4-amino-2,2,3-trimethyl-N-propan-2-yl-N-propylcyclohexane-1-carboxamide?
4-amino-2,2,3-trimethyl-N-propan-2-yl-N-propylcyclohexane-1-carboxamide has a molecular weight of 268.44 g/mol, XLogP of 3.03, 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-propan-2-yl-N-propylcyclohexane-1-carboxamide is sourced from PubChem (CID 102628342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).