1-cyclopropyl-N-ethyl-5-methylhexan-2-amine

C12H25N — CID 64906798

IUPAC1-cyclopropyl-N-ethyl-5-methylhexan-2-amine
SMILESCCNC(CCC(C)C)CC1CC1
InChIInChI=1S/C12H25N/c1-4-13-12(8-5-10(2)3)9-11-6-7-11/h10-13H,4-9H2,1-3H3
InChIKeyIJMRYEICEKBUJP-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.20
Rot. Bonds7

About 1-cyclopropyl-N-ethyl-5-methylhexan-2-amine

1-cyclopropyl-N-ethyl-5-methylhexan-2-amine (PubChem CID 64906798) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-5-methylhexan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-5-methylhexan-2-amine
PubChem CID64906798
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name1-cyclopropyl-N-ethyl-5-methylhexan-2-amine
SMILESCCNC(CCC(C)C)CC1CC1
InChIInChI=1S/C12H25N/c1-4-13-12(8-5-10(2)3)9-11-6-7-11/h10-13H,4-9H2,1-3H3
InChIKeyIJMRYEICEKBUJP-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-N-ethyl-5-methylhexan-2-amine
CID 65458371
N-ethyl-2,8-dimethylnonan-5-amine
CID 62603927
1-cyclopropyl-N-ethyl-4-methylsulfanylbutan-2-amine
CID 105152861
1-cyclopropyl-N-ethyltridecan-2-amine
CID 104986536
1-cycloheptyl-5-methyl-N-propylhexan-2-amine
CID 115834105
1-cyclopentyl-N-ethyl-5-methoxyhexan-2-amine
CID 105138937
1-cycloheptyl-3-cyclopropyl-N-ethylpropan-2-amine
CID 104986481
1,3-dicyclopentyl-N-ethylpropan-2-amine
CID 115847226
1-cyclobutyl-3-cyclopentyl-N-ethylpropan-2-amine
CID 115863503
1-cyclohexyl-N-ethylheptan-2-amine
CID 115837188
4-cyclopentyl-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine
CID 115346595
1-cyclopentyl-N-ethyl-4-methylsulfanylbutan-2-amine
CID 105138985

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-5-methylhexan-2-amine?
The IUPAC name of 1-cyclopropyl-N-ethyl-5-methylhexan-2-amine (CID 64906798) is 1-cyclopropyl-N-ethyl-5-methylhexan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-5-methylhexan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-5-methylhexan-2-amine is CCNC(CCC(C)C)CC1CC1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-5-methylhexan-2-amine?
The InChIKey is IJMRYEICEKBUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-4-13-12(8-5-10(2)3)9-11-6-7-11/h10-13H,4-9H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-ethyl-5-methylhexan-2-amine?
1-cyclopropyl-N-ethyl-5-methylhexan-2-amine has a molecular weight of 183.34 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-5-methylhexan-2-amine is sourced from PubChem (CID 64906798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).