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

C20H35N3 — CID 167047799

IUPAC(3Z)-5-imino-2-methyl-N-[2-methyl-1-(1-methylcyclopropyl)propyl]-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-amine
SMILES[H]/N=C(\C=C(/NC(C(C)C)C1(C)CC1)C(=C)C)N1CCCCC1C
InChIInChI=1S/C20H35N3/c1-14(2)17(22-19(15(3)4)20(6)10-11-20)13-18(21)23-12-8-7-9-16(23)5/h13,15-16,19,21-22H,1,7-12H2,2-6H3/b17-13-,21-18+
InChIKeyYRXLIRUTNSFCKA-DXBARXSWSA-N
MW317.52 g/mol
LogP4.71
Rot. Bonds6

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

(3Z)-5-imino-2-methyl-N-[2-methyl-1-(1-methylcyclopropyl)propyl]-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-amine (PubChem CID 167047799) has the molecular formula C20H35N3 and a molecular weight of 317.52 g/mol. Its IUPAC name is (3Z)-5-imino-2-methyl-N-[2-methyl-1-(1-methylcyclopropyl)propyl]-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-amine.

Molecular Properties

Compound Name(3Z)-5-imino-2-methyl-N-[2-methyl-1-(1-methylcyclopropyl)propyl]-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-amine
PubChem CID167047799
Molecular FormulaC20H35N3
Molecular Weight317.52 g/mol
Exact Mass317.28
IUPAC Name(3Z)-5-imino-2-methyl-N-[2-methyl-1-(1-methylcyclopropyl)propyl]-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-amine
SMILES[H]/N=C(\C=C(/NC(C(C)C)C1(C)CC1)C(=C)C)N1CCCCC1C
InChIInChI=1S/C20H35N3/c1-14(2)17(22-19(15(3)4)20(6)10-11-20)13-18(21)23-12-8-7-9-16(23)5/h13,15-16,19,21-22H,1,7-12H2,2-6H3/b17-13-,21-18+
InChIKeyYRXLIRUTNSFCKA-DXBARXSWSA-N
XLogP4.71
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.52
LogP ≤ 54.71
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'}

Analyze (3Z)-5-imino-2-methyl-N-[2-methyl-1-(1-methylcyclopropyl)propyl]-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-imino-2-methyl-N-[2-methyl-1-(1-methylcyclopropyl)propyl]-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-amine?
The IUPAC name of (3Z)-5-imino-2-methyl-N-[2-methyl-1-(1-methylcyclopropyl)propyl]-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-amine (CID 167047799) is (3Z)-5-imino-2-methyl-N-[2-methyl-1-(1-methylcyclopropyl)propyl]-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-amine.
What is the SMILES notation for (3Z)-5-imino-2-methyl-N-[2-methyl-1-(1-methylcyclopropyl)propyl]-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-amine?
The canonical SMILES for (3Z)-5-imino-2-methyl-N-[2-methyl-1-(1-methylcyclopropyl)propyl]-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-amine is [H]/N=C(\C=C(/NC(C(C)C)C1(C)CC1)C(=C)C)N1CCCCC1C.
What is the InChIKey of (3Z)-5-imino-2-methyl-N-[2-methyl-1-(1-methylcyclopropyl)propyl]-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-amine?
The InChIKey is YRXLIRUTNSFCKA-DXBARXSWSA-N. The full InChI is InChI=1S/C20H35N3/c1-14(2)17(22-19(15(3)4)20(6)10-11-20)13-18(21)23-12-8-7-9-16(23)5/h13,15-16,19,21-22H,1,7-12H2,2-6H3/b17-13-,21-18+.
What are the key properties of (3Z)-5-imino-2-methyl-N-[2-methyl-1-(1-methylcyclopropyl)propyl]-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-amine?
(3Z)-5-imino-2-methyl-N-[2-methyl-1-(1-methylcyclopropyl)propyl]-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-amine has a molecular weight of 317.52 g/mol, XLogP of 4.71, 6 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-N-[2-methyl-1-(1-methylcyclopropyl)propyl]-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-amine is sourced from PubChem (CID 167047799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).