N-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)cyclohexan-1-amine

C18H37N — CID 107428837

IUPACN-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCC(C)CC1CCCC(NCC(C(C)C)C(C)C)C1
InChIInChI=1S/C18H37N/c1-13(2)10-16-8-7-9-17(11-16)19-12-18(14(3)4)15(5)6/h13-19H,7-12H2,1-6H3
InChIKeyIZNXASWFRJGGDP-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.11
Rot. Bonds7

About N-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)cyclohexan-1-amine

N-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 107428837) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is N-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)cyclohexan-1-amine
PubChem CID107428837
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC NameN-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCC(C)CC1CCCC(NCC(C(C)C)C(C)C)C1
InChIInChI=1S/C18H37N/c1-13(2)10-16-8-7-9-17(11-16)19-12-18(14(3)4)15(5)6/h13-19H,7-12H2,1-6H3
InChIKeyIZNXASWFRJGGDP-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-1-[[3-(2-methylpropyl)cyclohexyl]amino]pentan-2-ol
CID 106284636
3-(2-methylpropyl)-N-pentylcyclohexan-1-amine
CID 107427844
N-but-3-enyl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428772
N-[(4-ethylcyclohexyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428318
3-(2-methylpropyl)-N-[(E)-pent-3-enyl]cyclohexan-1-amine
CID 107428771
[2-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclopentyl]methanol
CID 107428559
N-(1-cyclopropylpropan-2-yl)-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428492
N-butan-2-yl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107427829
N-cyclopent-3-en-1-yl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428777
4-methyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 107428533
3-(2-methylpropyl)-N-(oxan-2-ylmethyl)cyclohexan-1-amine
CID 107428382
N-ethyl-3-(2-methylpropyl)cyclopentan-1-amine
CID 64504045

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)cyclohexan-1-amine (CID 107428837) is N-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for N-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for N-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)cyclohexan-1-amine is CC(C)CC1CCCC(NCC(C(C)C)C(C)C)C1.
What is the InChIKey of N-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is IZNXASWFRJGGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-13(2)10-16-8-7-9-17(11-16)19-12-18(14(3)4)15(5)6/h13-19H,7-12H2,1-6H3.
What are the key properties of N-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)cyclohexan-1-amine?
N-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 267.50 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 107428837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).