2-[(3E)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]cyclopentan-1-amine

C17H29N3 — CID 167047789

IUPAC2-[(3E)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]cyclopentan-1-amine
SMILES[H]/N=C(/C=C(/C(=C)C)C1CCCC1N)N1CCCCC1C
InChIInChI=1S/C17H29N3/c1-12(2)15(14-8-6-9-16(14)18)11-17(19)20-10-5-4-7-13(20)3/h11,13-14,16,19H,1,4-10,18H2,2-3H3/b15-11-,19-17-
InChIKeyDRPRNHKDCDBNOE-YXKDWKSPSA-N
MW275.44 g/mol
LogP3.47
Rot. Bonds3

About 2-[(3E)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]cyclopentan-1-amine

2-[(3E)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]cyclopentan-1-amine (PubChem CID 167047789) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-[(3E)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[(3E)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]cyclopentan-1-amine
PubChem CID167047789
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-[(3E)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]cyclopentan-1-amine
SMILES[H]/N=C(/C=C(/C(=C)C)C1CCCC1N)N1CCCCC1C
InChIInChI=1S/C17H29N3/c1-12(2)15(14-8-6-9-16(14)18)11-17(19)20-10-5-4-7-13(20)3/h11,13-14,16,19H,1,4-10,18H2,2-3H3/b15-11-,19-17-
InChIKeyDRPRNHKDCDBNOE-YXKDWKSPSA-N
XLogP3.47
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.47
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 2-[(3E)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]cyclopentan-1-amine?
The IUPAC name of 2-[(3E)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]cyclopentan-1-amine (CID 167047789) is 2-[(3E)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 2-[(3E)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]cyclopentan-1-amine?
The canonical SMILES for 2-[(3E)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]cyclopentan-1-amine is [H]/N=C(/C=C(/C(=C)C)C1CCCC1N)N1CCCCC1C.
What is the InChIKey of 2-[(3E)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]cyclopentan-1-amine?
The InChIKey is DRPRNHKDCDBNOE-YXKDWKSPSA-N. The full InChI is InChI=1S/C17H29N3/c1-12(2)15(14-8-6-9-16(14)18)11-17(19)20-10-5-4-7-13(20)3/h11,13-14,16,19H,1,4-10,18H2,2-3H3/b15-11-,19-17-.
What are the key properties of 2-[(3E)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]cyclopentan-1-amine?
2-[(3E)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]cyclopentan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 167047789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).