[4-ethyl-1-(2-ethylhexyl)cyclohexyl]methanamine

C17H35N — CID 65393906

IUPAC[4-ethyl-1-(2-ethylhexyl)cyclohexyl]methanamine
SMILESCCCCC(CC)CC1(CN)CCC(CC)CC1
InChIInChI=1S/C17H35N/c1-4-7-8-16(6-3)13-17(14-18)11-9-15(5-2)10-12-17/h15-16H,4-14,18H2,1-3H3
InChIKeyJWIPLGUJEGHHPD-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.14
Rot. Bonds8

About [4-ethyl-1-(2-ethylhexyl)cyclohexyl]methanamine

[4-ethyl-1-(2-ethylhexyl)cyclohexyl]methanamine (PubChem CID 65393906) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is [4-ethyl-1-(2-ethylhexyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-1-(2-ethylhexyl)cyclohexyl]methanamine
PubChem CID65393906
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name[4-ethyl-1-(2-ethylhexyl)cyclohexyl]methanamine
SMILESCCCCC(CC)CC1(CN)CCC(CC)CC1
InChIInChI=1S/C17H35N/c1-4-7-8-16(6-3)13-17(14-18)11-9-15(5-2)10-12-17/h15-16H,4-14,18H2,1-3H3
InChIKeyJWIPLGUJEGHHPD-UHFFFAOYSA-N
XLogP5.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(2-ethylhexyl)-4-propan-2-ylcyclohexyl]methanamine
CID 65425074
[1-(2-ethylhexyl)cyclohexyl]methanamine
CID 63522503
4-butyl-1-(chloromethyl)-1-(2-ethylhexyl)cyclohexane
CID 66034185
[4-ethyl-1-(3-methylbutyl)cyclohexyl]methanamine
CID 65393489
[1-(2-butoxyethyl)-4-ethylcyclohexyl]methanamine
CID 65394946
1-(2-ethylhexyl)cyclopropan-1-amine
CID 66024000
1-(2-ethylhexyl)-4-methylcyclohexan-1-amine
CID 63407642
[4-tert-butyl-1-(2-ethylbutyl)cyclohexyl]methanamine
CID 82930941
3-amino-1-(2-ethylhexyl)cyclobutan-1-ol
CID 80561259
1-[4-tert-butyl-1-(2-ethylhexyl)cyclohexyl]-N-methylmethanamine
CID 63507882
1-(2-ethylhexyl)-4-propylcycloheptan-1-ol
CID 65090653
[1-(2-ethylbutyl)-3-methylcyclopentyl]methanamine
CID 82934663

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-1-(2-ethylhexyl)cyclohexyl]methanamine?
The IUPAC name of [4-ethyl-1-(2-ethylhexyl)cyclohexyl]methanamine (CID 65393906) is [4-ethyl-1-(2-ethylhexyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-ethyl-1-(2-ethylhexyl)cyclohexyl]methanamine?
The canonical SMILES for [4-ethyl-1-(2-ethylhexyl)cyclohexyl]methanamine is CCCCC(CC)CC1(CN)CCC(CC)CC1.
What is the InChIKey of [4-ethyl-1-(2-ethylhexyl)cyclohexyl]methanamine?
The InChIKey is JWIPLGUJEGHHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-4-7-8-16(6-3)13-17(14-18)11-9-15(5-2)10-12-17/h15-16H,4-14,18H2,1-3H3.
What are the key properties of [4-ethyl-1-(2-ethylhexyl)cyclohexyl]methanamine?
[4-ethyl-1-(2-ethylhexyl)cyclohexyl]methanamine has a molecular weight of 253.47 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-1-(2-ethylhexyl)cyclohexyl]methanamine is sourced from PubChem (CID 65393906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).