(Z)-6-imino-4-methylhept-3-en-3-amine

C8H16N2 — CID 130414211

IUPAC(Z)-6-imino-4-methylhept-3-en-3-amine
SMILES[H]/N=C(\C)C/C(C)=C(\N)CC
InChIInChI=1S/C8H16N2/c1-4-8(10)6(2)5-7(3)9/h9H,4-5,10H2,1-3H3/b8-6-,9-7+
InChIKeyHOSLMFRGVABIKX-MKKAVFGOSA-N
MW140.23 g/mol
LogP2.06
Rot. Bonds3

About (Z)-6-imino-4-methylhept-3-en-3-amine

(Z)-6-imino-4-methylhept-3-en-3-amine (PubChem CID 130414211) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (Z)-6-imino-4-methylhept-3-en-3-amine.

Molecular Properties

Compound Name(Z)-6-imino-4-methylhept-3-en-3-amine
PubChem CID130414211
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(Z)-6-imino-4-methylhept-3-en-3-amine
SMILES[H]/N=C(\C)C/C(C)=C(\N)CC
InChIInChI=1S/C8H16N2/c1-4-8(10)6(2)5-7(3)9/h9H,4-5,10H2,1-3H3/b8-6-,9-7+
InChIKeyHOSLMFRGVABIKX-MKKAVFGOSA-N
XLogP2.06
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-6-imino-4-methylhept-3-en-3-amine?
The IUPAC name of (Z)-6-imino-4-methylhept-3-en-3-amine (CID 130414211) is (Z)-6-imino-4-methylhept-3-en-3-amine.
What is the SMILES notation for (Z)-6-imino-4-methylhept-3-en-3-amine?
The canonical SMILES for (Z)-6-imino-4-methylhept-3-en-3-amine is [H]/N=C(\C)C/C(C)=C(\N)CC.
What is the InChIKey of (Z)-6-imino-4-methylhept-3-en-3-amine?
The InChIKey is HOSLMFRGVABIKX-MKKAVFGOSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-8(10)6(2)5-7(3)9/h9H,4-5,10H2,1-3H3/b8-6-,9-7+.
What are the key properties of (Z)-6-imino-4-methylhept-3-en-3-amine?
(Z)-6-imino-4-methylhept-3-en-3-amine has a molecular weight of 140.23 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-imino-4-methylhept-3-en-3-amine is sourced from PubChem (CID 130414211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).