5-ethyl-3,4-dimethylheptan-2-amine

C11H25N — CID 146192977

IUPAC5-ethyl-3,4-dimethylheptan-2-amine
SMILESCCC(CC)C(C)C(C)C(C)N
InChIInChI=1S/C11H25N/c1-6-11(7-2)9(4)8(3)10(5)12/h8-11H,6-7,12H2,1-5H3
InChIKeyGSSRNVAPAKXJGU-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.04
Rot. Bonds5

About 5-ethyl-3,4-dimethylheptan-2-amine

5-ethyl-3,4-dimethylheptan-2-amine (PubChem CID 146192977) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is 5-ethyl-3,4-dimethylheptan-2-amine.

Molecular Properties

Compound Name5-ethyl-3,4-dimethylheptan-2-amine
PubChem CID146192977
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name5-ethyl-3,4-dimethylheptan-2-amine
SMILESCCC(CC)C(C)C(C)C(C)N
InChIInChI=1S/C11H25N/c1-6-11(7-2)9(4)8(3)10(5)12/h8-11H,6-7,12H2,1-5H3
InChIKeyGSSRNVAPAKXJGU-UHFFFAOYSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-ethyl-2,3,4-trimethylheptane
CID 53428868
3,7-diethyl-5-methyl-4,6-di(pentan-3-yl)nonane
CID 165016406
3-amino-5-ethyl-4-methylheptanoic acid
CID 11735605
3-ethylheptan-2-amine
CID 61000696
3-(methoxymethyl)pentan-2-amine
CID 66437856
2-ethyl-4-methylpentane-1,3-diamine
CID 116945412
(4R)-3-ethyl-4-methylhexane
CID 59954491
butan-2-amine;(2R)-butan-2-amine;methane
CID 160926504
3-ethyl-5-methoxypentan-2-amine
CID 61000817
5-ethyl-2,3,4,7-tetramethyloctane
CID 57492474
3,5-diethyl-4,6,7-trimethylnonane
CID 123912873
3-amino-4-ethylhexan-1-ol
CID 17039430

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,4-dimethylheptan-2-amine?
The IUPAC name of 5-ethyl-3,4-dimethylheptan-2-amine (CID 146192977) is 5-ethyl-3,4-dimethylheptan-2-amine.
What is the SMILES notation for 5-ethyl-3,4-dimethylheptan-2-amine?
The canonical SMILES for 5-ethyl-3,4-dimethylheptan-2-amine is CCC(CC)C(C)C(C)C(C)N.
What is the InChIKey of 5-ethyl-3,4-dimethylheptan-2-amine?
The InChIKey is GSSRNVAPAKXJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-6-11(7-2)9(4)8(3)10(5)12/h8-11H,6-7,12H2,1-5H3.
What are the key properties of 5-ethyl-3,4-dimethylheptan-2-amine?
5-ethyl-3,4-dimethylheptan-2-amine has a molecular weight of 171.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,4-dimethylheptan-2-amine is sourced from PubChem (CID 146192977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).