2-ethyl-5,6,6-trimethylheptan-1-amine

C12H27N — CID 130337390

IUPAC2-ethyl-5,6,6-trimethylheptan-1-amine
SMILESCCC(CN)CCC(C)C(C)(C)C
InChIInChI=1S/C12H27N/c1-6-11(9-13)8-7-10(2)12(3,4)5/h10-11H,6-9,13H2,1-5H3
InChIKeyMRNWQAXQWQHCEP-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.43
Rot. Bonds5

About 2-ethyl-5,6,6-trimethylheptan-1-amine

2-ethyl-5,6,6-trimethylheptan-1-amine (PubChem CID 130337390) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is 2-ethyl-5,6,6-trimethylheptan-1-amine.

Molecular Properties

Compound Name2-ethyl-5,6,6-trimethylheptan-1-amine
PubChem CID130337390
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name2-ethyl-5,6,6-trimethylheptan-1-amine
SMILESCCC(CN)CCC(C)C(C)(C)C
InChIInChI=1S/C12H27N/c1-6-11(9-13)8-7-10(2)12(3,4)5/h10-11H,6-9,13H2,1-5H3
InChIKeyMRNWQAXQWQHCEP-UHFFFAOYSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethylpropane-1,3-diamine
CID 14499053
(2S)-2-ethylhexan-1-amine
CID 6999997
4-tert-butylsulfonyl-2-ethylbutan-1-amine
CID 106729540
2-ethyl-4-propan-2-yloxybutan-1-amine
CID 62505912
2-ethyl-4,5-dimethylhexan-1-amine
CID 147299389
2-ethylhexan-1-amine;hydrate
CID 173045208
2-ethylhexan-1-amine;dihydrochloride
CID 142641821
3-ethylpentane;2,2,3-trimethylbutane
CID 159696459
2-ethylundecane-1,11-diamine
CID 118354607
2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 81080353
2-ethyl-4-propylsulfonylbutan-1-amine
CID 106729541
3,6-diethyloctane
CID 526424

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,6,6-trimethylheptan-1-amine?
The IUPAC name of 2-ethyl-5,6,6-trimethylheptan-1-amine (CID 130337390) is 2-ethyl-5,6,6-trimethylheptan-1-amine.
What is the SMILES notation for 2-ethyl-5,6,6-trimethylheptan-1-amine?
The canonical SMILES for 2-ethyl-5,6,6-trimethylheptan-1-amine is CCC(CN)CCC(C)C(C)(C)C.
What is the InChIKey of 2-ethyl-5,6,6-trimethylheptan-1-amine?
The InChIKey is MRNWQAXQWQHCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-6-11(9-13)8-7-10(2)12(3,4)5/h10-11H,6-9,13H2,1-5H3.
What are the key properties of 2-ethyl-5,6,6-trimethylheptan-1-amine?
2-ethyl-5,6,6-trimethylheptan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,6,6-trimethylheptan-1-amine is sourced from PubChem (CID 130337390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).