2-cyclopropyl-2-N-[(3Z)-5-imino-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-1-N-methylpropane-1,2-diamine

C18H32N4 — CID 167047781

IUPAC2-cyclopropyl-2-N-[(3Z)-5-imino-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-1-N-methylpropane-1,2-diamine
SMILES[H]/N=C(\C=C(\C=C)NC(C)(CNC)C1CC1)N1CCCCC1C
InChIInChI=1S/C18H32N4/c1-5-16(21-18(3,13-20-4)15-9-10-15)12-17(19)22-11-7-6-8-14(22)2/h5,12,14-15,19-21H,1,6-11,13H2,2-4H3/b16-12-,19-17+
InChIKeyOKWWHYOGKPKZHK-KZEXJOKWSA-N
MW304.48 g/mol
LogP2.89
Rot. Bonds7

About 2-cyclopropyl-2-N-[(3Z)-5-imino-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-1-N-methylpropane-1,2-diamine

2-cyclopropyl-2-N-[(3Z)-5-imino-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-1-N-methylpropane-1,2-diamine (PubChem CID 167047781) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is 2-cyclopropyl-2-N-[(3Z)-5-imino-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-cyclopropyl-2-N-[(3Z)-5-imino-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-1-N-methylpropane-1,2-diamine
PubChem CID167047781
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC Name2-cyclopropyl-2-N-[(3Z)-5-imino-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-1-N-methylpropane-1,2-diamine
SMILES[H]/N=C(\C=C(\C=C)NC(C)(CNC)C1CC1)N1CCCCC1C
InChIInChI=1S/C18H32N4/c1-5-16(21-18(3,13-20-4)15-9-10-15)12-17(19)22-11-7-6-8-14(22)2/h5,12,14-15,19-21H,1,6-11,13H2,2-4H3/b16-12-,19-17+
InChIKeyOKWWHYOGKPKZHK-KZEXJOKWSA-N
XLogP2.89
TPSA51.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Related Compounds

1-cyclobutyl-N-[(3Z)-5-imino-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]ethane-1,2-diamine
CID 167047777
N-[(3Z)-5-imino-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-4-methylpentan-2-amine
CID 167047796
N-[(3Z)-5-imino-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,2-dimethylpentan-3-amine
CID 167048079

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-N-[(3Z)-5-imino-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-1-N-methylpropane-1,2-diamine?
The IUPAC name of 2-cyclopropyl-2-N-[(3Z)-5-imino-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-1-N-methylpropane-1,2-diamine (CID 167047781) is 2-cyclopropyl-2-N-[(3Z)-5-imino-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-cyclopropyl-2-N-[(3Z)-5-imino-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-cyclopropyl-2-N-[(3Z)-5-imino-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-1-N-methylpropane-1,2-diamine is [H]/N=C(\C=C(\C=C)NC(C)(CNC)C1CC1)N1CCCCC1C.
What is the InChIKey of 2-cyclopropyl-2-N-[(3Z)-5-imino-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-1-N-methylpropane-1,2-diamine?
The InChIKey is OKWWHYOGKPKZHK-KZEXJOKWSA-N. The full InChI is InChI=1S/C18H32N4/c1-5-16(21-18(3,13-20-4)15-9-10-15)12-17(19)22-11-7-6-8-14(22)2/h5,12,14-15,19-21H,1,6-11,13H2,2-4H3/b16-12-,19-17+.
What are the key properties of 2-cyclopropyl-2-N-[(3Z)-5-imino-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-1-N-methylpropane-1,2-diamine?
2-cyclopropyl-2-N-[(3Z)-5-imino-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-1-N-methylpropane-1,2-diamine has a molecular weight of 304.48 g/mol, XLogP of 2.89, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-N-[(3Z)-5-imino-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 167047781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).