5-imino-6-methylhept-1-en-4-amine

C8H16N2 — CID 89093635

IUPAC5-imino-6-methylhept-1-en-4-amine
SMILES[H]/N=C(\C(C)C)C(N)CC=C
InChIInChI=1S/C8H16N2/c1-4-5-7(9)8(10)6(2)3/h4,6-7,10H,1,5,9H2,2-3H3/b10-8+
InChIKeyAMIDZTOOSQCBFK-CSKARUKUSA-N
MW140.23 g/mol
LogP1.57
Rot. Bonds4

About 5-imino-6-methylhept-1-en-4-amine

5-imino-6-methylhept-1-en-4-amine (PubChem CID 89093635) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 5-imino-6-methylhept-1-en-4-amine.

Molecular Properties

Compound Name5-imino-6-methylhept-1-en-4-amine
PubChem CID89093635
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name5-imino-6-methylhept-1-en-4-amine
SMILES[H]/N=C(\C(C)C)C(N)CC=C
InChIInChI=1S/C8H16N2/c1-4-5-7(9)8(10)6(2)3/h4,6-7,10H,1,5,9H2,2-3H3/b10-8+
InChIKeyAMIDZTOOSQCBFK-CSKARUKUSA-N
XLogP1.57
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-imino-6-methylhept-1-en-4-amine?
The IUPAC name of 5-imino-6-methylhept-1-en-4-amine (CID 89093635) is 5-imino-6-methylhept-1-en-4-amine.
What is the SMILES notation for 5-imino-6-methylhept-1-en-4-amine?
The canonical SMILES for 5-imino-6-methylhept-1-en-4-amine is [H]/N=C(\C(C)C)C(N)CC=C.
What is the InChIKey of 5-imino-6-methylhept-1-en-4-amine?
The InChIKey is AMIDZTOOSQCBFK-CSKARUKUSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-5-7(9)8(10)6(2)3/h4,6-7,10H,1,5,9H2,2-3H3/b10-8+.
What are the key properties of 5-imino-6-methylhept-1-en-4-amine?
5-imino-6-methylhept-1-en-4-amine has a molecular weight of 140.23 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-6-methylhept-1-en-4-amine is sourced from PubChem (CID 89093635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).