(4S)-N,2,3-trimethylhept-1-en-4-amine

C10H21N — CID 174109197

IUPAC(4S)-N,2,3-trimethylhept-1-en-4-amine
SMILESC=C(C)C(C)[C@H](CCC)NC
InChIInChI=1S/C10H21N/c1-6-7-10(11-5)9(4)8(2)3/h9-11H,2,6-7H2,1,3-5H3/t9?,10-/m0/s1
InChIKeyOQVYILYTQXKUCZ-AXDSSHIGSA-N
MW155.28 g/mol
LogP2.59
Rot. Bonds5

About (4S)-N,2,3-trimethylhept-1-en-4-amine

(4S)-N,2,3-trimethylhept-1-en-4-amine (PubChem CID 174109197) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is (4S)-N,2,3-trimethylhept-1-en-4-amine.

Molecular Properties

Compound Name(4S)-N,2,3-trimethylhept-1-en-4-amine
PubChem CID174109197
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name(4S)-N,2,3-trimethylhept-1-en-4-amine
SMILESC=C(C)C(C)[C@H](CCC)NC
InChIInChI=1S/C10H21N/c1-6-7-10(11-5)9(4)8(2)3/h9-11H,2,6-7H2,1,3-5H3/t9?,10-/m0/s1
InChIKeyOQVYILYTQXKUCZ-AXDSSHIGSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-N,2,3-trimethylhept-1-en-4-amine?
The IUPAC name of (4S)-N,2,3-trimethylhept-1-en-4-amine (CID 174109197) is (4S)-N,2,3-trimethylhept-1-en-4-amine.
What is the SMILES notation for (4S)-N,2,3-trimethylhept-1-en-4-amine?
The canonical SMILES for (4S)-N,2,3-trimethylhept-1-en-4-amine is C=C(C)C(C)[C@H](CCC)NC.
What is the InChIKey of (4S)-N,2,3-trimethylhept-1-en-4-amine?
The InChIKey is OQVYILYTQXKUCZ-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H21N/c1-6-7-10(11-5)9(4)8(2)3/h9-11H,2,6-7H2,1,3-5H3/t9?,10-/m0/s1.
What are the key properties of (4S)-N,2,3-trimethylhept-1-en-4-amine?
(4S)-N,2,3-trimethylhept-1-en-4-amine has a molecular weight of 155.28 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N,2,3-trimethylhept-1-en-4-amine is sourced from PubChem (CID 174109197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).