3-ethyl-4-methylhexan-1-amine

C9H21N — CID 123538643

IUPAC3-ethyl-4-methylhexan-1-amine
SMILESCCC(C)C(CC)CCN
InChIInChI=1S/C9H21N/c1-4-8(3)9(5-2)6-7-10/h8-9H,4-7,10H2,1-3H3
InChIKeyCFOAXXPAWOOXIT-UHFFFAOYSA-N
MW143.27 g/mol
LogP2.41
Rot. Bonds5

About 3-ethyl-4-methylhexan-1-amine

3-ethyl-4-methylhexan-1-amine (PubChem CID 123538643) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is 3-ethyl-4-methylhexan-1-amine.

Molecular Properties

Compound Name3-ethyl-4-methylhexan-1-amine
PubChem CID123538643
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC Name3-ethyl-4-methylhexan-1-amine
SMILESCCC(C)C(CC)CCN
InChIInChI=1S/C9H21N/c1-4-8(3)9(5-2)6-7-10/h8-9H,4-7,10H2,1-3H3
InChIKeyCFOAXXPAWOOXIT-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-2-methylpentane-1,5-diamine
CID 88540021
4-ethyl-3-methylheptan-1-amine
CID 143231179
(4R)-3-ethyl-4-methylhexane
CID 59954491
(3R,4R)-4-ethyl-6-methoxy-3-methylhexan-1-amine
CID 143550229
3-ethyl-2-methylhexan-1-amine
CID 91121737
4-ethyl-3-methylundecane
CID 57279647
5-ethyl-6-methyloctan-1-ol
CID 89076022
5-ethyl-6-methyloct-1-ene
CID 123326070
3-ethyl-N,2-dimethylhexane-1,6-diamine
CID 167243609
5-ethyl-4-methylundecan-1-amine
CID 123603936
9-ethyl-3,8-dimethyl-4-propyldodecane
CID 142338103
(3R,4R)-6-amino-4-methylhexan-3-ol
CID 96637634

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methylhexan-1-amine?
The IUPAC name of 3-ethyl-4-methylhexan-1-amine (CID 123538643) is 3-ethyl-4-methylhexan-1-amine.
What is the SMILES notation for 3-ethyl-4-methylhexan-1-amine?
The canonical SMILES for 3-ethyl-4-methylhexan-1-amine is CCC(C)C(CC)CCN.
What is the InChIKey of 3-ethyl-4-methylhexan-1-amine?
The InChIKey is CFOAXXPAWOOXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N/c1-4-8(3)9(5-2)6-7-10/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 3-ethyl-4-methylhexan-1-amine?
3-ethyl-4-methylhexan-1-amine has a molecular weight of 143.27 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methylhexan-1-amine is sourced from PubChem (CID 123538643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).