(Z)-4-methanimidoyl-N,5-dimethylhex-3-en-1-amine

C9H18N2 — CID 167231481

IUPAC(Z)-4-methanimidoyl-N,5-dimethylhex-3-en-1-amine
SMILES[H]/N=C/C(=C\CCNC)C(C)C
InChIInChI=1S/C9H18N2/c1-8(2)9(7-10)5-4-6-11-3/h5,7-8,10-11H,4,6H2,1-3H3/b9-5+,10-7+
InChIKeyYYTCCYQOUKWNMT-FWMCCXIMSA-N
MW154.26 g/mol
LogP1.83
Rot. Bonds5

About (Z)-4-methanimidoyl-N,5-dimethylhex-3-en-1-amine

(Z)-4-methanimidoyl-N,5-dimethylhex-3-en-1-amine (PubChem CID 167231481) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (Z)-4-methanimidoyl-N,5-dimethylhex-3-en-1-amine.

Molecular Properties

Compound Name(Z)-4-methanimidoyl-N,5-dimethylhex-3-en-1-amine
PubChem CID167231481
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(Z)-4-methanimidoyl-N,5-dimethylhex-3-en-1-amine
SMILES[H]/N=C/C(=C\CCNC)C(C)C
InChIInChI=1S/C9H18N2/c1-8(2)9(7-10)5-4-6-11-3/h5,7-8,10-11H,4,6H2,1-3H3/b9-5+,10-7+
InChIKeyYYTCCYQOUKWNMT-FWMCCXIMSA-N
XLogP1.83
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-methanimidoyl-N,5-dimethylhex-3-en-1-amine?
The IUPAC name of (Z)-4-methanimidoyl-N,5-dimethylhex-3-en-1-amine (CID 167231481) is (Z)-4-methanimidoyl-N,5-dimethylhex-3-en-1-amine.
What is the SMILES notation for (Z)-4-methanimidoyl-N,5-dimethylhex-3-en-1-amine?
The canonical SMILES for (Z)-4-methanimidoyl-N,5-dimethylhex-3-en-1-amine is [H]/N=C/C(=C\CCNC)C(C)C.
What is the InChIKey of (Z)-4-methanimidoyl-N,5-dimethylhex-3-en-1-amine?
The InChIKey is YYTCCYQOUKWNMT-FWMCCXIMSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(2)9(7-10)5-4-6-11-3/h5,7-8,10-11H,4,6H2,1-3H3/b9-5+,10-7+.
What are the key properties of (Z)-4-methanimidoyl-N,5-dimethylhex-3-en-1-amine?
(Z)-4-methanimidoyl-N,5-dimethylhex-3-en-1-amine has a molecular weight of 154.26 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methanimidoyl-N,5-dimethylhex-3-en-1-amine is sourced from PubChem (CID 167231481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).