N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide

C15H30N2O — CID 81482758

IUPACN-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NCC(C)(C)N)CC1
InChIInChI=1S/C15H30N2O/c1-4-5-6-12-7-9-13(10-8-12)14(18)17-11-15(2,3)16/h12-13H,4-11,16H2,1-3H3,(H,17,18)
InChIKeyPCFCQSKUDZGFQQ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.84
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide

N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide (PubChem CID 81482758) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide
PubChem CID81482758
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NCC(C)(C)N)CC1
InChIInChI=1S/C15H30N2O/c1-4-5-6-12-7-9-13(10-8-12)14(18)17-11-15(2,3)16/h12-13H,4-11,16H2,1-3H3,(H,17,18)
InChIKeyPCFCQSKUDZGFQQ-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide;hydrochloride
CID 119629586
N-(5-bromo-2,2-dimethylpentyl)-4-butylcyclohexane-1-carboxamide
CID 106145391
4-butyl-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide
CID 103899307
4-butylcyclohexane-1-carbohydrazide
CID 2063620
N-[(3-aminocyclobutyl)methyl]-4-butylcyclohexane-1-carboxamide
CID 66004520
N-(2-amino-3-hydroxybutyl)-4-butylcyclohexane-1-carboxamide
CID 64542116
4-butyl-N-[(3-hydroxycyclopentyl)methyl]cyclohexane-1-carboxamide
CID 103280018
4-butyl-N-(6-iodohexyl)cyclohexane-1-carboxamide
CID 107848338
N-[2-(2-aminoethoxy)ethyl]-4-butylcyclohexane-1-carboxamide
CID 63754103
4-butyl-N-[(E)-4-chlorobut-2-enyl]cyclohexane-1-carboxamide
CID 81429367
N-(3-bromobutyl)-4-butylcyclohexane-1-carboxamide
CID 114312510
propan-2-yl 2-[(4-butylcyclohexanecarbonyl)amino]acetate
CID 56551069

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide (CID 81482758) is N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide is CCCCC1CCC(C(=O)NCC(C)(C)N)CC1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide?
The InChIKey is PCFCQSKUDZGFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-5-6-12-7-9-13(10-8-12)14(18)17-11-15(2,3)16/h12-13H,4-11,16H2,1-3H3,(H,17,18).
What are the key properties of N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide?
N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide has a molecular weight of 254.42 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide is sourced from PubChem (CID 81482758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).