N-[(3Z)-5-imino-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,2-dimethylpentan-3-amine

C18H33N3 — CID 167048079

IUPACN-[(3Z)-5-imino-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,2-dimethylpentan-3-amine
SMILES[H]/N=C(\C=C(\C=C)NC(CC)C(C)(C)C)N1CCCCC1C
InChIInChI=1S/C18H33N3/c1-7-15(20-16(8-2)18(4,5)6)13-17(19)21-12-10-9-11-14(21)3/h7,13-14,16,19-20H,1,8-12H2,2-6H3/b15-13-,19-17+
InChIKeyJNPAGJODCVOQMB-GARYEECKSA-N
MW291.48 g/mol
LogP4.32
Rot. Bonds5

About N-[(3Z)-5-imino-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,2-dimethylpentan-3-amine

N-[(3Z)-5-imino-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,2-dimethylpentan-3-amine (PubChem CID 167048079) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-[(3Z)-5-imino-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,2-dimethylpentan-3-amine.

Molecular Properties

Compound NameN-[(3Z)-5-imino-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,2-dimethylpentan-3-amine
PubChem CID167048079
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-[(3Z)-5-imino-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,2-dimethylpentan-3-amine
SMILES[H]/N=C(\C=C(\C=C)NC(CC)C(C)(C)C)N1CCCCC1C
InChIInChI=1S/C18H33N3/c1-7-15(20-16(8-2)18(4,5)6)13-17(19)21-12-10-9-11-14(21)3/h7,13-14,16,19-20H,1,8-12H2,2-6H3/b15-13-,19-17+
InChIKeyJNPAGJODCVOQMB-GARYEECKSA-N
XLogP4.32
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.32
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 N-[(3Z)-5-imino-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,2-dimethylpentan-3-amine?
The IUPAC name of N-[(3Z)-5-imino-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,2-dimethylpentan-3-amine (CID 167048079) is N-[(3Z)-5-imino-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,2-dimethylpentan-3-amine.
What is the SMILES notation for N-[(3Z)-5-imino-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,2-dimethylpentan-3-amine?
The canonical SMILES for N-[(3Z)-5-imino-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,2-dimethylpentan-3-amine is [H]/N=C(\C=C(\C=C)NC(CC)C(C)(C)C)N1CCCCC1C.
What is the InChIKey of N-[(3Z)-5-imino-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,2-dimethylpentan-3-amine?
The InChIKey is JNPAGJODCVOQMB-GARYEECKSA-N. The full InChI is InChI=1S/C18H33N3/c1-7-15(20-16(8-2)18(4,5)6)13-17(19)21-12-10-9-11-14(21)3/h7,13-14,16,19-20H,1,8-12H2,2-6H3/b15-13-,19-17+.
What are the key properties of N-[(3Z)-5-imino-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,2-dimethylpentan-3-amine?
N-[(3Z)-5-imino-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,2-dimethylpentan-3-amine has a molecular weight of 291.48 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-5-imino-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,2-dimethylpentan-3-amine is sourced from PubChem (CID 167048079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).