N,N,2,2,5,6-hexamethylhept-5-en-3-amine

C13H27N — CID 59450034

IUPACN,N,2,2,5,6-hexamethylhept-5-en-3-amine
SMILESCC(C)=C(C)CC(N(C)C)C(C)(C)C
InChIInChI=1S/C13H27N/c1-10(2)11(3)9-12(14(7)8)13(4,5)6/h12H,9H2,1-8H3
InChIKeyKIHFEBDZVFUIJI-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.71
Rot. Bonds3

About N,N,2,2,5,6-hexamethylhept-5-en-3-amine

N,N,2,2,5,6-hexamethylhept-5-en-3-amine (PubChem CID 59450034) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N,N,2,2,5,6-hexamethylhept-5-en-3-amine.

Molecular Properties

Compound NameN,N,2,2,5,6-hexamethylhept-5-en-3-amine
PubChem CID59450034
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN,N,2,2,5,6-hexamethylhept-5-en-3-amine
SMILESCC(C)=C(C)CC(N(C)C)C(C)(C)C
InChIInChI=1S/C13H27N/c1-10(2)11(3)9-12(14(7)8)13(4,5)6/h12H,9H2,1-8H3
InChIKeyKIHFEBDZVFUIJI-UHFFFAOYSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
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 N,N,2,2,5,6-hexamethylhept-5-en-3-amine?
The IUPAC name of N,N,2,2,5,6-hexamethylhept-5-en-3-amine (CID 59450034) is N,N,2,2,5,6-hexamethylhept-5-en-3-amine.
What is the SMILES notation for N,N,2,2,5,6-hexamethylhept-5-en-3-amine?
The canonical SMILES for N,N,2,2,5,6-hexamethylhept-5-en-3-amine is CC(C)=C(C)CC(N(C)C)C(C)(C)C.
What is the InChIKey of N,N,2,2,5,6-hexamethylhept-5-en-3-amine?
The InChIKey is KIHFEBDZVFUIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-10(2)11(3)9-12(14(7)8)13(4,5)6/h12H,9H2,1-8H3.
What are the key properties of N,N,2,2,5,6-hexamethylhept-5-en-3-amine?
N,N,2,2,5,6-hexamethylhept-5-en-3-amine has a molecular weight of 197.37 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2,5,6-hexamethylhept-5-en-3-amine is sourced from PubChem (CID 59450034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).