1-(2-ethylhexyl)-2-methylcyclohexane-1,3-diamine

C15H32N2 — CID 175282719

IUPAC1-(2-ethylhexyl)-2-methylcyclohexane-1,3-diamine
SMILESCCCCC(CC)CC1(N)CCCC(N)C1C
InChIInChI=1S/C15H32N2/c1-4-6-8-13(5-2)11-15(17)10-7-9-14(16)12(15)3/h12-14H,4-11,16-17H2,1-3H3
InChIKeyKHAGYXKNIZSOTC-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.44
Rot. Bonds6

About 1-(2-ethylhexyl)-2-methylcyclohexane-1,3-diamine

1-(2-ethylhexyl)-2-methylcyclohexane-1,3-diamine (PubChem CID 175282719) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-2-methylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-(2-ethylhexyl)-2-methylcyclohexane-1,3-diamine
PubChem CID175282719
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name1-(2-ethylhexyl)-2-methylcyclohexane-1,3-diamine
SMILESCCCCC(CC)CC1(N)CCCC(N)C1C
InChIInChI=1S/C15H32N2/c1-4-6-8-13(5-2)11-15(17)10-7-9-14(16)12(15)3/h12-14H,4-11,16-17H2,1-3H3
InChIKeyKHAGYXKNIZSOTC-UHFFFAOYSA-N
XLogP3.44
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylhexyl)cyclopropan-1-amine
CID 66024000
1-(2-ethylhexyl)-4-methylcyclohexan-1-amine
CID 63407642
1,1,2-tris(2-ethylhexyl)cyclohexane
CID 155657580
2-ethyl-1-(2-ethylbutyl)cyclohexan-1-amine
CID 82920876
[1-(2-ethylhexyl)cyclohexyl]methanamine
CID 63522503
3-amino-1-(2-ethylhexyl)cyclobutan-1-ol
CID 80561259
[4-ethyl-1-(2-ethylhexyl)cyclohexyl]methanamine
CID 65393906
[1-(2-ethylhexyl)-4-propan-2-ylcyclohexyl]methanamine
CID 65425074
2-(2-ethylhexoxy)cyclohexan-1-amine
CID 43127678
1-(2-ethylhexyl)-4-propylcycloheptan-1-ol
CID 65090653
1-(2-ethylhexyl)cycloheptan-1-ol
CID 63406622
1-(2-ethylhexyl)cyclohexan-1-ol
CID 63409044

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexyl)-2-methylcyclohexane-1,3-diamine?
The IUPAC name of 1-(2-ethylhexyl)-2-methylcyclohexane-1,3-diamine (CID 175282719) is 1-(2-ethylhexyl)-2-methylcyclohexane-1,3-diamine.
What is the SMILES notation for 1-(2-ethylhexyl)-2-methylcyclohexane-1,3-diamine?
The canonical SMILES for 1-(2-ethylhexyl)-2-methylcyclohexane-1,3-diamine is CCCCC(CC)CC1(N)CCCC(N)C1C.
What is the InChIKey of 1-(2-ethylhexyl)-2-methylcyclohexane-1,3-diamine?
The InChIKey is KHAGYXKNIZSOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-4-6-8-13(5-2)11-15(17)10-7-9-14(16)12(15)3/h12-14H,4-11,16-17H2,1-3H3.
What are the key properties of 1-(2-ethylhexyl)-2-methylcyclohexane-1,3-diamine?
1-(2-ethylhexyl)-2-methylcyclohexane-1,3-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexyl)-2-methylcyclohexane-1,3-diamine is sourced from PubChem (CID 175282719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).