2-methyl-4-propylhept-1-en-3-amine

C11H23N — CID 105005514

IUPAC2-methyl-4-propylhept-1-en-3-amine
SMILESC=C(C)C(N)C(CCC)CCC
InChIInChI=1S/C11H23N/c1-5-7-10(8-6-2)11(12)9(3)4/h10-11H,3,5-8,12H2,1-2,4H3
InChIKeyUANZSFFNYLPLPS-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.11
Rot. Bonds6

About 2-methyl-4-propylhept-1-en-3-amine

2-methyl-4-propylhept-1-en-3-amine (PubChem CID 105005514) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 2-methyl-4-propylhept-1-en-3-amine.

Molecular Properties

Compound Name2-methyl-4-propylhept-1-en-3-amine
PubChem CID105005514
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name2-methyl-4-propylhept-1-en-3-amine
SMILESC=C(C)C(N)C(CCC)CCC
InChIInChI=1S/C11H23N/c1-5-7-10(8-6-2)11(12)9(3)4/h10-11H,3,5-8,12H2,1-2,4H3
InChIKeyUANZSFFNYLPLPS-UHFFFAOYSA-N
XLogP3.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.11
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 2-methyl-4-propylhept-1-en-3-amine?
The IUPAC name of 2-methyl-4-propylhept-1-en-3-amine (CID 105005514) is 2-methyl-4-propylhept-1-en-3-amine.
What is the SMILES notation for 2-methyl-4-propylhept-1-en-3-amine?
The canonical SMILES for 2-methyl-4-propylhept-1-en-3-amine is C=C(C)C(N)C(CCC)CCC.
What is the InChIKey of 2-methyl-4-propylhept-1-en-3-amine?
The InChIKey is UANZSFFNYLPLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-5-7-10(8-6-2)11(12)9(3)4/h10-11H,3,5-8,12H2,1-2,4H3.
What are the key properties of 2-methyl-4-propylhept-1-en-3-amine?
2-methyl-4-propylhept-1-en-3-amine has a molecular weight of 169.31 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propylhept-1-en-3-amine is sourced from PubChem (CID 105005514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).