1-cyclohexyl-N-ethyl-3-methylhexan-2-amine

C15H31N — CID 115842188

IUPAC1-cyclohexyl-N-ethyl-3-methylhexan-2-amine
SMILESCCCC(C)C(CC1CCCCC1)NCC
InChIInChI=1S/C15H31N/c1-4-9-13(3)15(16-5-2)12-14-10-7-6-8-11-14/h13-16H,4-12H2,1-3H3
InChIKeyBAPBREBTFYWCCB-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.37
Rot. Bonds7

About 1-cyclohexyl-N-ethyl-3-methylhexan-2-amine

1-cyclohexyl-N-ethyl-3-methylhexan-2-amine (PubChem CID 115842188) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyl-3-methylhexan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyl-3-methylhexan-2-amine
PubChem CID115842188
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name1-cyclohexyl-N-ethyl-3-methylhexan-2-amine
SMILESCCCC(C)C(CC1CCCCC1)NCC
InChIInChI=1S/C15H31N/c1-4-9-13(3)15(16-5-2)12-14-10-7-6-8-11-14/h13-16H,4-12H2,1-3H3
InChIKeyBAPBREBTFYWCCB-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 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 ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cycloheptyl-N,3-dimethylhexan-2-amine
CID 107893929
1-cyclopentyl-N-ethyl-4-methylheptan-3-amine
CID 107893474
1-(3-ethoxycyclobutyl)-N-ethyl-3-methylhexan-2-amine
CID 114013601
1-cyclopropyl-N-ethyl-3-propylhexan-2-amine
CID 104986528
1-cyclohexyl-N-propylpentan-2-amine
CID 63413972
1-cyclohexyl-3-ethoxy-N-ethylpentan-2-amine
CID 116717017
1-cyclobutyl-N,3-diethylheptan-2-amine
CID 115863541
1-cycloheptyl-3-cyclopropyl-N-ethylpropan-2-amine
CID 104986481
1-cyclohexyl-N-ethylheptan-2-amine
CID 115837188
1,3-dicyclopentyl-N-ethylpropan-2-amine
CID 115847226
1-cycloheptyl-2-cyclohexyl-N-ethylethanamine
CID 65399491
1,2-di(cycloheptyl)-N-ethylethanamine
CID 105027799

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyl-3-methylhexan-2-amine?
The IUPAC name of 1-cyclohexyl-N-ethyl-3-methylhexan-2-amine (CID 115842188) is 1-cyclohexyl-N-ethyl-3-methylhexan-2-amine.
What is the SMILES notation for 1-cyclohexyl-N-ethyl-3-methylhexan-2-amine?
The canonical SMILES for 1-cyclohexyl-N-ethyl-3-methylhexan-2-amine is CCCC(C)C(CC1CCCCC1)NCC.
What is the InChIKey of 1-cyclohexyl-N-ethyl-3-methylhexan-2-amine?
The InChIKey is BAPBREBTFYWCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-4-9-13(3)15(16-5-2)12-14-10-7-6-8-11-14/h13-16H,4-12H2,1-3H3.
What are the key properties of 1-cyclohexyl-N-ethyl-3-methylhexan-2-amine?
1-cyclohexyl-N-ethyl-3-methylhexan-2-amine has a molecular weight of 225.42 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethyl-3-methylhexan-2-amine is sourced from PubChem (CID 115842188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).