4-[(3E,5E)-9-amino-6-methanimidoyl-5-methylnona-1,3,5-trien-3-yl]-N,N-dimethylpiperidin-1-amine

C18H32N4 — CID 134525665

IUPAC4-[(3E,5E)-9-amino-6-methanimidoyl-5-methylnona-1,3,5-trien-3-yl]-N,N-dimethylpiperidin-1-amine
SMILES[H]/N=C/C(CCCN)=C(C)/C=C(\C=C)C1CCN(N(C)C)CC1
InChIInChI=1S/C18H32N4/c1-5-16(13-15(2)18(14-20)7-6-10-19)17-8-11-22(12-9-17)21(3)4/h5,13-14,17,20H,1,6-12,19H2,2-4H3/b16-13+,18-15+,20-14+
InChIKeyVNPCQRBOMXBQOM-LZPPJCQVSA-N
MW304.48 g/mol
LogP2.99
Rot. Bonds8

About 4-[(3E,5E)-9-amino-6-methanimidoyl-5-methylnona-1,3,5-trien-3-yl]-N,N-dimethylpiperidin-1-amine

4-[(3E,5E)-9-amino-6-methanimidoyl-5-methylnona-1,3,5-trien-3-yl]-N,N-dimethylpiperidin-1-amine (PubChem CID 134525665) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is 4-[(3E,5E)-9-amino-6-methanimidoyl-5-methylnona-1,3,5-trien-3-yl]-N,N-dimethylpiperidin-1-amine.

Molecular Properties

Compound Name4-[(3E,5E)-9-amino-6-methanimidoyl-5-methylnona-1,3,5-trien-3-yl]-N,N-dimethylpiperidin-1-amine
PubChem CID134525665
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC Name4-[(3E,5E)-9-amino-6-methanimidoyl-5-methylnona-1,3,5-trien-3-yl]-N,N-dimethylpiperidin-1-amine
SMILES[H]/N=C/C(CCCN)=C(C)/C=C(\C=C)C1CCN(N(C)C)CC1
InChIInChI=1S/C18H32N4/c1-5-16(13-15(2)18(14-20)7-6-10-19)17-8-11-22(12-9-17)21(3)4/h5,13-14,17,20H,1,6-12,19H2,2-4H3/b16-13+,18-15+,20-14+
InChIKeyVNPCQRBOMXBQOM-LZPPJCQVSA-N
XLogP2.99
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3E,5E)-9-amino-6-methanimidoyl-5-methylnona-1,3,5-trien-3-yl]-N,N-dimethylpiperidin-1-amine?
The IUPAC name of 4-[(3E,5E)-9-amino-6-methanimidoyl-5-methylnona-1,3,5-trien-3-yl]-N,N-dimethylpiperidin-1-amine (CID 134525665) is 4-[(3E,5E)-9-amino-6-methanimidoyl-5-methylnona-1,3,5-trien-3-yl]-N,N-dimethylpiperidin-1-amine.
What is the SMILES notation for 4-[(3E,5E)-9-amino-6-methanimidoyl-5-methylnona-1,3,5-trien-3-yl]-N,N-dimethylpiperidin-1-amine?
The canonical SMILES for 4-[(3E,5E)-9-amino-6-methanimidoyl-5-methylnona-1,3,5-trien-3-yl]-N,N-dimethylpiperidin-1-amine is [H]/N=C/C(CCCN)=C(C)/C=C(\C=C)C1CCN(N(C)C)CC1.
What is the InChIKey of 4-[(3E,5E)-9-amino-6-methanimidoyl-5-methylnona-1,3,5-trien-3-yl]-N,N-dimethylpiperidin-1-amine?
The InChIKey is VNPCQRBOMXBQOM-LZPPJCQVSA-N. The full InChI is InChI=1S/C18H32N4/c1-5-16(13-15(2)18(14-20)7-6-10-19)17-8-11-22(12-9-17)21(3)4/h5,13-14,17,20H,1,6-12,19H2,2-4H3/b16-13+,18-15+,20-14+.
What are the key properties of 4-[(3E,5E)-9-amino-6-methanimidoyl-5-methylnona-1,3,5-trien-3-yl]-N,N-dimethylpiperidin-1-amine?
4-[(3E,5E)-9-amino-6-methanimidoyl-5-methylnona-1,3,5-trien-3-yl]-N,N-dimethylpiperidin-1-amine has a molecular weight of 304.48 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E,5E)-9-amino-6-methanimidoyl-5-methylnona-1,3,5-trien-3-yl]-N,N-dimethylpiperidin-1-amine is sourced from PubChem (CID 134525665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).