(3S)-3-methylhexan-2-imine

C7H15N — CID 149359557

IUPAC(3S)-3-methylhexan-2-imine
SMILES[H]/N=C(\C)[C@@H](C)CCC
InChIInChI=1S/C7H15N/c1-4-5-6(2)7(3)8/h6,8H,4-5H2,1-3H3/b8-7+/t6-/m0/s1
InChIKeyYHQFAWUDIHOFDP-KRHCVIHDSA-N
MW113.20 g/mol
LogP2.46
Rot. Bonds3

About (3S)-3-methylhexan-2-imine

(3S)-3-methylhexan-2-imine (PubChem CID 149359557) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is (3S)-3-methylhexan-2-imine.

Molecular Properties

Compound Name(3S)-3-methylhexan-2-imine
PubChem CID149359557
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name(3S)-3-methylhexan-2-imine
SMILES[H]/N=C(\C)[C@@H](C)CCC
InChIInChI=1S/C7H15N/c1-4-5-6(2)7(3)8/h6,8H,4-5H2,1-3H3/b8-7+/t6-/m0/s1
InChIKeyYHQFAWUDIHOFDP-KRHCVIHDSA-N
XLogP2.46
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methylheptan-3-imine
CID 149092868
5-imino-4-methylhexanoic acid
CID 123554623
3-methyloct-7-ene-2,6-diimine
CID 167256727
3-methyl-2-oxohexanimidamide
CID 141053375
3-propan-2-yloctan-2-imine
CID 123235094
4-methylheptan-2-imine
CID 90831955
3-methylbutan-2-imine
CID 20811318
3-ethylpentan-2-imine
CID 91583168
N-ethyl-2-iminopentan-3-amine
CID 174551929
N,3-dimethylhexan-2-imine
CID 123371156
(6S)-4,6-dimethylnonan-5-one
CID 177467625
1-cyclohexylidene-3-methylhexan-2-imine
CID 123876303

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methylhexan-2-imine?
The IUPAC name of (3S)-3-methylhexan-2-imine (CID 149359557) is (3S)-3-methylhexan-2-imine.
What is the SMILES notation for (3S)-3-methylhexan-2-imine?
The canonical SMILES for (3S)-3-methylhexan-2-imine is [H]/N=C(\C)[C@@H](C)CCC.
What is the InChIKey of (3S)-3-methylhexan-2-imine?
The InChIKey is YHQFAWUDIHOFDP-KRHCVIHDSA-N. The full InChI is InChI=1S/C7H15N/c1-4-5-6(2)7(3)8/h6,8H,4-5H2,1-3H3/b8-7+/t6-/m0/s1.
What are the key properties of (3S)-3-methylhexan-2-imine?
(3S)-3-methylhexan-2-imine has a molecular weight of 113.20 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methylhexan-2-imine is sourced from PubChem (CID 149359557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).