6-methylhept-1-en-4-amine

C8H17N — CID 61380137

IUPAC6-methylhept-1-en-4-amine
SMILESC=CCC(N)CC(C)C
InChIInChI=1S/C8H17N/c1-4-5-8(9)6-7(2)3/h4,7-8H,1,5-6,9H2,2-3H3
InChIKeyYLCKEVRGZIZASZ-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.94
Rot. Bonds4

About 6-methylhept-1-en-4-amine

6-methylhept-1-en-4-amine (PubChem CID 61380137) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 6-methylhept-1-en-4-amine.

Molecular Properties

Compound Name6-methylhept-1-en-4-amine
PubChem CID61380137
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name6-methylhept-1-en-4-amine
SMILESC=CCC(N)CC(C)C
InChIInChI=1S/C8H17N/c1-4-5-8(9)6-7(2)3/h4,7-8H,1,5-6,9H2,2-3H3
InChIKeyYLCKEVRGZIZASZ-UHFFFAOYSA-N
XLogP1.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.94
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 6-methylhept-1-en-4-amine?
The IUPAC name of 6-methylhept-1-en-4-amine (CID 61380137) is 6-methylhept-1-en-4-amine.
What is the SMILES notation for 6-methylhept-1-en-4-amine?
The canonical SMILES for 6-methylhept-1-en-4-amine is C=CCC(N)CC(C)C.
What is the InChIKey of 6-methylhept-1-en-4-amine?
The InChIKey is YLCKEVRGZIZASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-4-5-8(9)6-7(2)3/h4,7-8H,1,5-6,9H2,2-3H3.
What are the key properties of 6-methylhept-1-en-4-amine?
6-methylhept-1-en-4-amine has a molecular weight of 127.23 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylhept-1-en-4-amine is sourced from PubChem (CID 61380137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).