(4S)-4-methyl-N-prop-2-enylheptan-3-imine

C11H21N — CID 59040090

IUPAC(4S)-4-methyl-N-prop-2-enylheptan-3-imine
SMILESC=CC/N=C(\CC)[C@@H](C)CCC
InChIInChI=1S/C11H21N/c1-5-8-10(4)11(7-3)12-9-6-2/h6,10H,2,5,7-9H2,1,3-4H3/b12-11+/t10-/m0/s1
InChIKeyRIPQMUZMQNKSKC-IUZMTQGWSA-N
MW167.30 g/mol
LogP3.46
Rot. Bonds6

About (4S)-4-methyl-N-prop-2-enylheptan-3-imine

(4S)-4-methyl-N-prop-2-enylheptan-3-imine (PubChem CID 59040090) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (4S)-4-methyl-N-prop-2-enylheptan-3-imine.

Molecular Properties

Compound Name(4S)-4-methyl-N-prop-2-enylheptan-3-imine
PubChem CID59040090
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(4S)-4-methyl-N-prop-2-enylheptan-3-imine
SMILESC=CC/N=C(\CC)[C@@H](C)CCC
InChIInChI=1S/C11H21N/c1-5-8-10(4)11(7-3)12-9-6-2/h6,10H,2,5,7-9H2,1,3-4H3/b12-11+/t10-/m0/s1
InChIKeyRIPQMUZMQNKSKC-IUZMTQGWSA-N
XLogP3.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-N-prop-2-enylheptan-3-imine?
The IUPAC name of (4S)-4-methyl-N-prop-2-enylheptan-3-imine (CID 59040090) is (4S)-4-methyl-N-prop-2-enylheptan-3-imine.
What is the SMILES notation for (4S)-4-methyl-N-prop-2-enylheptan-3-imine?
The canonical SMILES for (4S)-4-methyl-N-prop-2-enylheptan-3-imine is C=CC/N=C(\CC)[C@@H](C)CCC.
What is the InChIKey of (4S)-4-methyl-N-prop-2-enylheptan-3-imine?
The InChIKey is RIPQMUZMQNKSKC-IUZMTQGWSA-N. The full InChI is InChI=1S/C11H21N/c1-5-8-10(4)11(7-3)12-9-6-2/h6,10H,2,5,7-9H2,1,3-4H3/b12-11+/t10-/m0/s1.
What are the key properties of (4S)-4-methyl-N-prop-2-enylheptan-3-imine?
(4S)-4-methyl-N-prop-2-enylheptan-3-imine has a molecular weight of 167.30 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-N-prop-2-enylheptan-3-imine is sourced from PubChem (CID 59040090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).