N-(1-aminobutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide

C15H30N2O — CID 63755182

IUPACN-(1-aminobutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
SMILESCCC(CN)NC(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-5-13(10-16)17-14(18)11-6-8-12(9-7-11)15(2,3)4/h11-13H,5-10,16H2,1-4H3,(H,17,18)
InChIKeyIPUOUNLXJFIISI-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.69
Rot. Bonds4

About N-(1-aminobutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide

N-(1-aminobutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide (PubChem CID 63755182) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
PubChem CID63755182
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-(1-aminobutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
SMILESCCC(CN)NC(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-5-13(10-16)17-14(18)11-6-8-12(9-7-11)15(2,3)4/h11-13H,5-10,16H2,1-4H3,(H,17,18)
InChIKeyIPUOUNLXJFIISI-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminobutan-2-yl)cyclooctanecarboxamide
CID 65020917
N-(1-amino-1-sulfanylidenebutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 62718554
4-tert-butyl-N-hex-1-yn-3-ylcyclohexane-1-carboxamide
CID 114161118
ethane;ethyl 3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-oxobutanoate
CID 142190592
methyl (2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]propanoate
CID 113257909
N-(1-bromo-3-methylbutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 114316175
4-amino-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-oxobutanoic acid
CID 43092294
N-(1-amino-1-hydroxyiminopentan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 76948332
(2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-methylpentanoic acid
CID 78975872
N-(1-amino-1-hydroxyiminopropan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 76948330
N-(1-amino-4-methylpentan-2-yl)-4-butylcyclohexane-1-carboxamide
CID 63754544
2-[(4-tert-butylcyclohexanecarbonyl)amino]-3-hydroxybutanoic acid
CID 43238721

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide?
The IUPAC name of N-(1-aminobutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide (CID 63755182) is N-(1-aminobutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide?
The canonical SMILES for N-(1-aminobutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide is CCC(CN)NC(=O)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-(1-aminobutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide?
The InChIKey is IPUOUNLXJFIISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-13(10-16)17-14(18)11-6-8-12(9-7-11)15(2,3)4/h11-13H,5-10,16H2,1-4H3,(H,17,18).
What are the key properties of N-(1-aminobutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide?
N-(1-aminobutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide has a molecular weight of 254.42 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide is sourced from PubChem (CID 63755182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).