N,N-diethylhept-5-en-1-amine

C11H23N — CID 91371745

IUPACN,N-diethylhept-5-en-1-amine
SMILESCC=CCCCCN(CC)CC
InChIInChI=1S/C11H23N/c1-4-7-8-9-10-11-12(5-2)6-3/h4,7H,5-6,8-11H2,1-3H3
InChIKeyCTHCHRZTQWYGJS-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.07
Rot. Bonds7

About N,N-diethylhept-5-en-1-amine

N,N-diethylhept-5-en-1-amine (PubChem CID 91371745) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N,N-diethylhept-5-en-1-amine.

Molecular Properties

Compound NameN,N-diethylhept-5-en-1-amine
PubChem CID91371745
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN,N-diethylhept-5-en-1-amine
SMILESCC=CCCCCN(CC)CC
InChIInChI=1S/C11H23N/c1-4-7-8-9-10-11-12(5-2)6-3/h4,7H,5-6,8-11H2,1-3H3
InChIKeyCTHCHRZTQWYGJS-UHFFFAOYSA-N
XLogP3.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylhept-5-en-1-amine?
The IUPAC name of N,N-diethylhept-5-en-1-amine (CID 91371745) is N,N-diethylhept-5-en-1-amine.
What is the SMILES notation for N,N-diethylhept-5-en-1-amine?
The canonical SMILES for N,N-diethylhept-5-en-1-amine is CC=CCCCCN(CC)CC.
What is the InChIKey of N,N-diethylhept-5-en-1-amine?
The InChIKey is CTHCHRZTQWYGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-4-7-8-9-10-11-12(5-2)6-3/h4,7H,5-6,8-11H2,1-3H3.
What are the key properties of N,N-diethylhept-5-en-1-amine?
N,N-diethylhept-5-en-1-amine has a molecular weight of 169.31 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylhept-5-en-1-amine is sourced from PubChem (CID 91371745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).