N,5-dimethylhept-5-en-1-amine

C9H19N — CID 91363451

IUPACN,5-dimethylhept-5-en-1-amine
SMILESCC=C(C)CCCCNC
InChIInChI=1S/C9H19N/c1-4-9(2)7-5-6-8-10-3/h4,10H,5-8H2,1-3H3
InChIKeyRRAOOUOWRPSHMY-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.34
Rot. Bonds5

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

N,5-dimethylhept-5-en-1-amine (PubChem CID 91363451) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N,5-dimethylhept-5-en-1-amine.

Molecular Properties

Compound NameN,5-dimethylhept-5-en-1-amine
PubChem CID91363451
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN,5-dimethylhept-5-en-1-amine
SMILESCC=C(C)CCCCNC
InChIInChI=1S/C9H19N/c1-4-9(2)7-5-6-8-10-3/h4,10H,5-8H2,1-3H3
InChIKeyRRAOOUOWRPSHMY-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
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,5-dimethylhept-5-en-1-amine?
The IUPAC name of N,5-dimethylhept-5-en-1-amine (CID 91363451) is N,5-dimethylhept-5-en-1-amine.
What is the SMILES notation for N,5-dimethylhept-5-en-1-amine?
The canonical SMILES for N,5-dimethylhept-5-en-1-amine is CC=C(C)CCCCNC.
What is the InChIKey of N,5-dimethylhept-5-en-1-amine?
The InChIKey is RRAOOUOWRPSHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-4-9(2)7-5-6-8-10-3/h4,10H,5-8H2,1-3H3.
What are the key properties of N,5-dimethylhept-5-en-1-amine?
N,5-dimethylhept-5-en-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethylhept-5-en-1-amine is sourced from PubChem (CID 91363451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).