(5S)-3,5-diethyl-5-methyloct-7-en-2-amine

C13H27N — CID 88958075

IUPAC(5S)-3,5-diethyl-5-methyloct-7-en-2-amine
SMILESC=CC[C@](C)(CC)CC(CC)C(C)N
InChIInChI=1S/C13H27N/c1-6-9-13(5,8-3)10-12(7-2)11(4)14/h6,11-12H,1,7-10,14H2,2-5H3/t11?,12?,13-/m0/s1
InChIKeyRWLNPLCNFLCOKS-BPCQOVAHSA-N
MW197.37 g/mol
LogP3.74
Rot. Bonds7

About (5S)-3,5-diethyl-5-methyloct-7-en-2-amine

(5S)-3,5-diethyl-5-methyloct-7-en-2-amine (PubChem CID 88958075) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is (5S)-3,5-diethyl-5-methyloct-7-en-2-amine.

Molecular Properties

Compound Name(5S)-3,5-diethyl-5-methyloct-7-en-2-amine
PubChem CID88958075
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name(5S)-3,5-diethyl-5-methyloct-7-en-2-amine
SMILESC=CC[C@](C)(CC)CC(CC)C(C)N
InChIInChI=1S/C13H27N/c1-6-9-13(5,8-3)10-12(7-2)11(4)14/h6,11-12H,1,7-10,14H2,2-5H3/t11?,12?,13-/m0/s1
InChIKeyRWLNPLCNFLCOKS-BPCQOVAHSA-N
XLogP3.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.74
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 (5S)-3,5-diethyl-5-methyloct-7-en-2-amine?
The IUPAC name of (5S)-3,5-diethyl-5-methyloct-7-en-2-amine (CID 88958075) is (5S)-3,5-diethyl-5-methyloct-7-en-2-amine.
What is the SMILES notation for (5S)-3,5-diethyl-5-methyloct-7-en-2-amine?
The canonical SMILES for (5S)-3,5-diethyl-5-methyloct-7-en-2-amine is C=CC[C@](C)(CC)CC(CC)C(C)N.
What is the InChIKey of (5S)-3,5-diethyl-5-methyloct-7-en-2-amine?
The InChIKey is RWLNPLCNFLCOKS-BPCQOVAHSA-N. The full InChI is InChI=1S/C13H27N/c1-6-9-13(5,8-3)10-12(7-2)11(4)14/h6,11-12H,1,7-10,14H2,2-5H3/t11?,12?,13-/m0/s1.
What are the key properties of (5S)-3,5-diethyl-5-methyloct-7-en-2-amine?
(5S)-3,5-diethyl-5-methyloct-7-en-2-amine has a molecular weight of 197.37 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3,5-diethyl-5-methyloct-7-en-2-amine is sourced from PubChem (CID 88958075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).