[1-(2-ethylhexyl)cyclohexyl]methanamine

C15H31N — CID 63522503

IUPAC[1-(2-ethylhexyl)cyclohexyl]methanamine
SMILESCCCCC(CC)CC1(CN)CCCCC1
InChIInChI=1S/C15H31N/c1-3-5-9-14(4-2)12-15(13-16)10-7-6-8-11-15/h14H,3-13,16H2,1-2H3
InChIKeyDEVYLDNHXXWGEC-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.50
Rot. Bonds7

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

[1-(2-ethylhexyl)cyclohexyl]methanamine (PubChem CID 63522503) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is [1-(2-ethylhexyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-ethylhexyl)cyclohexyl]methanamine
PubChem CID63522503
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name[1-(2-ethylhexyl)cyclohexyl]methanamine
SMILESCCCCC(CC)CC1(CN)CCCCC1
InChIInChI=1S/C15H31N/c1-3-5-9-14(4-2)12-15(13-16)10-7-6-8-11-15/h14H,3-13,16H2,1-2H3
InChIKeyDEVYLDNHXXWGEC-UHFFFAOYSA-N
XLogP4.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.50
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)-4-propan-2-ylcyclohexyl]methanamine
CID 65425074
1-(2-ethylhexyl)cycloheptan-1-ol
CID 63406622
1-(2-ethylhexyl)cyclohexan-1-ol
CID 63409044
1-(2-ethylhexyl)cyclopropan-1-amine
CID 66024000
1-(2-ethylhexyl)cyclohexane-1-carbonitrile
CID 65378046
(1-ethylcyclooctyl)methanamine
CID 80604065
N-[[1-(2-ethylhexyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 65195011
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethylhexanamide
CID 103970224
1-(aminomethyl)-N-ethyl-N-(2-ethylhexyl)cyclopentan-1-amine
CID 63480319
3-(bromomethyl)-3-(2-ethylhexyl)oxane
CID 66042471
(1-pentylcyclopentyl)methanamine
CID 62725889

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylhexyl)cyclohexyl]methanamine?
The IUPAC name of [1-(2-ethylhexyl)cyclohexyl]methanamine (CID 63522503) is [1-(2-ethylhexyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(2-ethylhexyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(2-ethylhexyl)cyclohexyl]methanamine is CCCCC(CC)CC1(CN)CCCCC1.
What is the InChIKey of [1-(2-ethylhexyl)cyclohexyl]methanamine?
The InChIKey is DEVYLDNHXXWGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-3-5-9-14(4-2)12-15(13-16)10-7-6-8-11-15/h14H,3-13,16H2,1-2H3.
What are the key properties of [1-(2-ethylhexyl)cyclohexyl]methanamine?
[1-(2-ethylhexyl)cyclohexyl]methanamine has a molecular weight of 225.42 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylhexyl)cyclohexyl]methanamine is sourced from PubChem (CID 63522503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).