(3S)-4-ethyl-2-iminohexan-3-amine

C8H18N2 — CID 166901408

IUPAC(3S)-4-ethyl-2-iminohexan-3-amine
SMILES[H]/N=C(\C)[C@@H](N)C(CC)CC
InChIInChI=1S/C8H18N2/c1-4-7(5-2)8(10)6(3)9/h7-9H,4-5,10H2,1-3H3/b9-6+/t8-/m1/s1
InChIKeyIRYISANSKNCJOB-GTUWVTDSSA-N
MW142.25 g/mol
LogP1.79
Rot. Bonds4

About (3S)-4-ethyl-2-iminohexan-3-amine

(3S)-4-ethyl-2-iminohexan-3-amine (PubChem CID 166901408) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is (3S)-4-ethyl-2-iminohexan-3-amine.

Molecular Properties

Compound Name(3S)-4-ethyl-2-iminohexan-3-amine
PubChem CID166901408
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name(3S)-4-ethyl-2-iminohexan-3-amine
SMILES[H]/N=C(\C)[C@@H](N)C(CC)CC
InChIInChI=1S/C8H18N2/c1-4-7(5-2)8(10)6(3)9/h7-9H,4-5,10H2,1-3H3/b9-6+/t8-/m1/s1
InChIKeyIRYISANSKNCJOB-GTUWVTDSSA-N
XLogP1.79
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-ethylpentan-2-imine
CID 91583168
3-ethyl-4-iminopentan-2-one
CID 90798974
(2S)-2-amino-3-ethylpentanoic acid
CID 10125066
2-ethyl-3-iminobutanal
CID 123144543
(3S)-2-amino-4-iminopentane-1,3-diol
CID 89425663
N-ethyl-2-iminopentan-3-amine
CID 174551929
3-amino-4-iminopentan-2-one
CID 143689653
2-amino-3-iminobutanethioamide
CID 123398026
(3S)-3-methylhexan-2-imine
CID 149359557
3-methylbutan-2-imine
CID 20811318
4-(2-iminopentan-3-yl)aniline
CID 174558407
3-aminopentanimidamide
CID 79498775

Frequently Asked Questions

What is the IUPAC name of (3S)-4-ethyl-2-iminohexan-3-amine?
The IUPAC name of (3S)-4-ethyl-2-iminohexan-3-amine (CID 166901408) is (3S)-4-ethyl-2-iminohexan-3-amine.
What is the SMILES notation for (3S)-4-ethyl-2-iminohexan-3-amine?
The canonical SMILES for (3S)-4-ethyl-2-iminohexan-3-amine is [H]/N=C(\C)[C@@H](N)C(CC)CC.
What is the InChIKey of (3S)-4-ethyl-2-iminohexan-3-amine?
The InChIKey is IRYISANSKNCJOB-GTUWVTDSSA-N. The full InChI is InChI=1S/C8H18N2/c1-4-7(5-2)8(10)6(3)9/h7-9H,4-5,10H2,1-3H3/b9-6+/t8-/m1/s1.
What are the key properties of (3S)-4-ethyl-2-iminohexan-3-amine?
(3S)-4-ethyl-2-iminohexan-3-amine has a molecular weight of 142.25 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-ethyl-2-iminohexan-3-amine is sourced from PubChem (CID 166901408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).