3-ethylheptan-2-amine

C9H21N — CID 61000696

IUPAC3-ethylheptan-2-amine
SMILESCCCCC(CC)C(C)N
InChIInChI=1S/C9H21N/c1-4-6-7-9(5-2)8(3)10/h8-9H,4-7,10H2,1-3H3
InChIKeyQLZNKMBHWZWIQS-UHFFFAOYSA-N
MW143.27 g/mol
LogP2.55
Rot. Bonds5

About 3-ethylheptan-2-amine

3-ethylheptan-2-amine (PubChem CID 61000696) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is 3-ethylheptan-2-amine.

Molecular Properties

Compound Name3-ethylheptan-2-amine
PubChem CID61000696
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC Name3-ethylheptan-2-amine
SMILESCCCCC(CC)C(C)N
InChIInChI=1S/C9H21N/c1-4-6-7-9(5-2)8(3)10/h8-9H,4-7,10H2,1-3H3
InChIKeyQLZNKMBHWZWIQS-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-decyltridecan-2-amine;hydrochloride
CID 173130271
5,9-diethyltridecane-6,8-diamine
CID 57146972
6-ethyl-4-methyldecan-5-amine
CID 107893876
ethane;(3R)-3-ethyl-2-methylheptane
CID 166461427
6-ethoxy-3-ethylhexan-2-amine
CID 65181090
4,5-diethylnonane
CID 21188862
3,6-diethylnonan-2-amine
CID 123222168
5-ethyltetradecan-6-amine
CID 115835159
3-(dibromomethyl)heptane
CID 87164380
5,6-diethyldodecane
CID 90761715
3-(triethoxysilylmethyl)heptan-2-amine
CID 23048093
5-butyl-6-ethyldodecane
CID 529932

Frequently Asked Questions

What is the IUPAC name of 3-ethylheptan-2-amine?
The IUPAC name of 3-ethylheptan-2-amine (CID 61000696) is 3-ethylheptan-2-amine.
What is the SMILES notation for 3-ethylheptan-2-amine?
The canonical SMILES for 3-ethylheptan-2-amine is CCCCC(CC)C(C)N.
What is the InChIKey of 3-ethylheptan-2-amine?
The InChIKey is QLZNKMBHWZWIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N/c1-4-6-7-9(5-2)8(3)10/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 3-ethylheptan-2-amine?
3-ethylheptan-2-amine has a molecular weight of 143.27 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylheptan-2-amine is sourced from PubChem (CID 61000696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).