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

C20H35N3 — CID 163276733

IUPACN-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,3,3-trimethylcyclopentan-1-amine
SMILES[H]/N=C(\C=C(/NC1CCC(C)(C)C1C)C(=C)C)N1CCCCC1C
InChIInChI=1S/C20H35N3/c1-14(2)18(22-17-10-11-20(5,6)16(17)4)13-19(21)23-12-8-7-9-15(23)3/h13,15-17,21-22H,1,7-12H2,2-6H3/b18-13-,21-19+
InChIKeyCNJIVKRXYTUIRR-RQVZBFIBSA-N
MW317.52 g/mol
LogP4.71
Rot. Bonds4

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

N-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,3,3-trimethylcyclopentan-1-amine (PubChem CID 163276733) has the molecular formula C20H35N3 and a molecular weight of 317.52 g/mol. Its IUPAC name is N-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,3,3-trimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,3,3-trimethylcyclopentan-1-amine
PubChem CID163276733
Molecular FormulaC20H35N3
Molecular Weight317.52 g/mol
Exact Mass317.28
IUPAC NameN-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,3,3-trimethylcyclopentan-1-amine
SMILES[H]/N=C(\C=C(/NC1CCC(C)(C)C1C)C(=C)C)N1CCCCC1C
InChIInChI=1S/C20H35N3/c1-14(2)18(22-17-10-11-20(5,6)16(17)4)13-19(21)23-12-8-7-9-15(23)3/h13,15-17,21-22H,1,7-12H2,2-6H3/b18-13-,21-19+
InChIKeyCNJIVKRXYTUIRR-RQVZBFIBSA-N
XLogP4.71
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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'}

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Related Compounds

N-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2-methylcyclopentan-1-amine
CID 163276634
N-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,2-dimethylpentan-3-amine
CID 167047783
(3Z)-N-[cyclopropyl-(1-methylcyclopropyl)methyl]-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-amine
CID 167047785
(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
(2Z)-2-(5,5-dimethyl-3-methylidene-1,4,4a,6,7,7a-hexahydrocyclopenta[b]pyridin-2-ylidene)-1-(2-methylpyrrolidin-1-yl)ethanimine
CID 167047806
N-[(Z)-1-imino-1-(2-methylpiperidin-1-yl)pent-2-en-3-yl]-3,3-dimethyl-2-methylidenecyclopentan-1-amine
CID 167048126

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,3,3-trimethylcyclopentan-1-amine?
The IUPAC name of N-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,3,3-trimethylcyclopentan-1-amine (CID 163276733) is N-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,3,3-trimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,3,3-trimethylcyclopentan-1-amine?
The canonical SMILES for N-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,3,3-trimethylcyclopentan-1-amine is [H]/N=C(\C=C(/NC1CCC(C)(C)C1C)C(=C)C)N1CCCCC1C.
What is the InChIKey of N-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,3,3-trimethylcyclopentan-1-amine?
The InChIKey is CNJIVKRXYTUIRR-RQVZBFIBSA-N. The full InChI is InChI=1S/C20H35N3/c1-14(2)18(22-17-10-11-20(5,6)16(17)4)13-19(21)23-12-8-7-9-15(23)3/h13,15-17,21-22H,1,7-12H2,2-6H3/b18-13-,21-19+.
What are the key properties of N-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,3,3-trimethylcyclopentan-1-amine?
N-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,3,3-trimethylcyclopentan-1-amine has a molecular weight of 317.52 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,3,3-trimethylcyclopentan-1-amine is sourced from PubChem (CID 163276733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).