N-(3-methoxybutan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine

C16H33NO — CID 113481634

IUPACN-(3-methoxybutan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NC(C)C(C)OC)CC1
InChIInChI=1S/C16H33NO/c1-7-16(4,5)14-8-10-15(11-9-14)17-12(2)13(3)18-6/h12-15,17H,7-11H2,1-6H3
InChIKeyZRASPMZFMLGNPI-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.99
Rot. Bonds6

About N-(3-methoxybutan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine

N-(3-methoxybutan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine (PubChem CID 113481634) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-(3-methoxybutan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-methoxybutan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
PubChem CID113481634
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-(3-methoxybutan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NC(C)C(C)OC)CC1
InChIInChI=1S/C16H33NO/c1-7-16(4,5)14-8-10-15(11-9-14)17-12(2)13(3)18-6/h12-15,17H,7-11H2,1-6H3
InChIKeyZRASPMZFMLGNPI-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methylbutan-2-yl)-N-(2-methylpentan-3-yl)cyclohexan-1-amine
CID 43778905
N-[(1R)-1-cyclopentylethyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 81396402
N-(3-methoxybutan-2-yl)cyclobutanamine
CID 115889558
N-[(2R)-3-methoxybutan-2-yl]cyclobutanamine
CID 131222697
N-but-3-yn-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 114415159
methyl 3-methyl-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pentanoate
CID 43732303
N-heptan-4-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43672319
N-hexan-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43778904
ethane;2-methoxypropane;2-methylbutan-2-ylcyclohexane
CID 54153860
N-(1-cyclopropylpropyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 64917545
N-(2-methoxyethyl)-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propanamide
CID 115574010
2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]butan-1-ol
CID 43079522

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxybutan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of N-(3-methoxybutan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine (CID 113481634) is N-(3-methoxybutan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for N-(3-methoxybutan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for N-(3-methoxybutan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine is CCC(C)(C)C1CCC(NC(C)C(C)OC)CC1.
What is the InChIKey of N-(3-methoxybutan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is ZRASPMZFMLGNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-7-16(4,5)14-8-10-15(11-9-14)17-12(2)13(3)18-6/h12-15,17H,7-11H2,1-6H3.
What are the key properties of N-(3-methoxybutan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
N-(3-methoxybutan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxybutan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 113481634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).