N-methyl-3-propylhept-3-en-1-amine

C11H23N — CID 123919432

IUPACN-methyl-3-propylhept-3-en-1-amine
SMILESCCCC=C(CCC)CCNC
InChIInChI=1S/C11H23N/c1-4-6-8-11(7-5-2)9-10-12-3/h8,12H,4-7,9-10H2,1-3H3
InChIKeyBUBJSPNKGZXGCZ-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.12
Rot. Bonds7

About N-methyl-3-propylhept-3-en-1-amine

N-methyl-3-propylhept-3-en-1-amine (PubChem CID 123919432) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-methyl-3-propylhept-3-en-1-amine.

Molecular Properties

Compound NameN-methyl-3-propylhept-3-en-1-amine
PubChem CID123919432
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-methyl-3-propylhept-3-en-1-amine
SMILESCCCC=C(CCC)CCNC
InChIInChI=1S/C11H23N/c1-4-6-8-11(7-5-2)9-10-12-3/h8,12H,4-7,9-10H2,1-3H3
InChIKeyBUBJSPNKGZXGCZ-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.12
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 N-methyl-3-propylhept-3-en-1-amine?
The IUPAC name of N-methyl-3-propylhept-3-en-1-amine (CID 123919432) is N-methyl-3-propylhept-3-en-1-amine.
What is the SMILES notation for N-methyl-3-propylhept-3-en-1-amine?
The canonical SMILES for N-methyl-3-propylhept-3-en-1-amine is CCCC=C(CCC)CCNC.
What is the InChIKey of N-methyl-3-propylhept-3-en-1-amine?
The InChIKey is BUBJSPNKGZXGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-4-6-8-11(7-5-2)9-10-12-3/h8,12H,4-7,9-10H2,1-3H3.
What are the key properties of N-methyl-3-propylhept-3-en-1-amine?
N-methyl-3-propylhept-3-en-1-amine has a molecular weight of 169.31 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-propylhept-3-en-1-amine is sourced from PubChem (CID 123919432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).