[1-(2-ethylhexyl)-4-propan-2-ylcyclohexyl]methanamine

C18H37N — CID 65425074

IUPAC[1-(2-ethylhexyl)-4-propan-2-ylcyclohexyl]methanamine
SMILESCCCCC(CC)CC1(CN)CCC(C(C)C)CC1
InChIInChI=1S/C18H37N/c1-5-7-8-16(6-2)13-18(14-19)11-9-17(10-12-18)15(3)4/h15-17H,5-14,19H2,1-4H3
InChIKeyMPYULWCNXCOMCS-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.38
Rot. Bonds8

About [1-(2-ethylhexyl)-4-propan-2-ylcyclohexyl]methanamine

[1-(2-ethylhexyl)-4-propan-2-ylcyclohexyl]methanamine (PubChem CID 65425074) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is [1-(2-ethylhexyl)-4-propan-2-ylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-ethylhexyl)-4-propan-2-ylcyclohexyl]methanamine
PubChem CID65425074
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name[1-(2-ethylhexyl)-4-propan-2-ylcyclohexyl]methanamine
SMILESCCCCC(CC)CC1(CN)CCC(C(C)C)CC1
InChIInChI=1S/C18H37N/c1-5-7-8-16(6-2)13-18(14-19)11-9-17(10-12-18)15(3)4/h15-17H,5-14,19H2,1-4H3
InChIKeyMPYULWCNXCOMCS-UHFFFAOYSA-N
XLogP5.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-ethyl-1-(2-ethylhexyl)cyclohexyl]methanamine
CID 65393906
[1-(2-ethylhexyl)cyclohexyl]methanamine
CID 63522503
1-(2-ethylhexyl)cyclopropan-1-amine
CID 66024000
1-(2-ethylhexyl)-4-methylcyclohexan-1-amine
CID 63407642
4-butyl-1-(chloromethyl)-1-(2-ethylhexyl)cyclohexane
CID 66034185
1-(2-ethylbutyl)-4-propan-2-ylcyclohexan-1-amine
CID 82920282
[4-tert-butyl-1-(2-ethylbutyl)cyclohexyl]methanamine
CID 82930941
[4-propan-2-yl-1-(2-propoxyethyl)cyclohexyl]methanamine
CID 106459327
3-ethyl-1-(4-propan-2-ylcyclohexyl)heptan-1-ol
CID 65425475
1-[4-tert-butyl-1-(2-ethylhexyl)cyclohexyl]-N-methylmethanamine
CID 63507882
[1-(2-ethylbutyl)-3-methylcyclopentyl]methanamine
CID 82934663
N-(2-ethylhexyl)-4-propan-2-ylcyclohexan-1-amine
CID 55200354

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylhexyl)-4-propan-2-ylcyclohexyl]methanamine?
The IUPAC name of [1-(2-ethylhexyl)-4-propan-2-ylcyclohexyl]methanamine (CID 65425074) is [1-(2-ethylhexyl)-4-propan-2-ylcyclohexyl]methanamine.
What is the SMILES notation for [1-(2-ethylhexyl)-4-propan-2-ylcyclohexyl]methanamine?
The canonical SMILES for [1-(2-ethylhexyl)-4-propan-2-ylcyclohexyl]methanamine is CCCCC(CC)CC1(CN)CCC(C(C)C)CC1.
What is the InChIKey of [1-(2-ethylhexyl)-4-propan-2-ylcyclohexyl]methanamine?
The InChIKey is MPYULWCNXCOMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-5-7-8-16(6-2)13-18(14-19)11-9-17(10-12-18)15(3)4/h15-17H,5-14,19H2,1-4H3.
What are the key properties of [1-(2-ethylhexyl)-4-propan-2-ylcyclohexyl]methanamine?
[1-(2-ethylhexyl)-4-propan-2-ylcyclohexyl]methanamine has a molecular weight of 267.50 g/mol, XLogP of 5.38, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylhexyl)-4-propan-2-ylcyclohexyl]methanamine is sourced from PubChem (CID 65425074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).