(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)-N-propylpenta-1,3-dien-3-amine

C15H27N3 — CID 167047786

IUPAC(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)-N-propylpenta-1,3-dien-3-amine
SMILES[H]/N=C(\C=C(/NCCC)C(=C)C)N1CCCCC1C
InChIInChI=1S/C15H27N3/c1-5-9-17-14(12(2)3)11-15(16)18-10-7-6-8-13(18)4/h11,13,16-17H,2,5-10H2,1,3-4H3/b14-11-,16-15+
InChIKeyVDYNQPLPMYUHNZ-BGINDXNBSA-N
MW249.40 g/mol
LogP3.30
Rot. Bonds5

About (3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)-N-propylpenta-1,3-dien-3-amine

(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)-N-propylpenta-1,3-dien-3-amine (PubChem CID 167047786) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is (3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)-N-propylpenta-1,3-dien-3-amine.

Molecular Properties

Compound Name(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)-N-propylpenta-1,3-dien-3-amine
PubChem CID167047786
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)-N-propylpenta-1,3-dien-3-amine
SMILES[H]/N=C(\C=C(/NCCC)C(=C)C)N1CCCCC1C
InChIInChI=1S/C15H27N3/c1-5-9-17-14(12(2)3)11-15(16)18-10-7-6-8-13(18)4/h11,13,16-17H,2,5-10H2,1,3-4H3/b14-11-,16-15+
InChIKeyVDYNQPLPMYUHNZ-BGINDXNBSA-N
XLogP3.30
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)-N-propylpenta-1,3-dien-3-amine?
The IUPAC name of (3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)-N-propylpenta-1,3-dien-3-amine (CID 167047786) is (3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)-N-propylpenta-1,3-dien-3-amine.
What is the SMILES notation for (3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)-N-propylpenta-1,3-dien-3-amine?
The canonical SMILES for (3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)-N-propylpenta-1,3-dien-3-amine is [H]/N=C(\C=C(/NCCC)C(=C)C)N1CCCCC1C.
What is the InChIKey of (3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)-N-propylpenta-1,3-dien-3-amine?
The InChIKey is VDYNQPLPMYUHNZ-BGINDXNBSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-9-17-14(12(2)3)11-15(16)18-10-7-6-8-13(18)4/h11,13,16-17H,2,5-10H2,1,3-4H3/b14-11-,16-15+.
What are the key properties of (3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)-N-propylpenta-1,3-dien-3-amine?
(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)-N-propylpenta-1,3-dien-3-amine has a molecular weight of 249.40 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)-N-propylpenta-1,3-dien-3-amine is sourced from PubChem (CID 167047786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).