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

C18H31N3 — CID 163276634

IUPACN-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2-methylcyclopentan-1-amine
SMILES[H]/N=C(\C=C(/NC1CCCC1C)C(=C)C)N1CCCCC1C
InChIInChI=1S/C18H31N3/c1-13(2)17(20-16-10-7-8-14(16)3)12-18(19)21-11-6-5-9-15(21)4/h12,14-16,19-20H,1,5-11H2,2-4H3/b17-12-,19-18+
InChIKeyLLSHOKPTJHHKJO-YNMQTYGTSA-N
MW289.47 g/mol
LogP4.08
Rot. Bonds4

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

N-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2-methylcyclopentan-1-amine (PubChem CID 163276634) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2-methylcyclopentan-1-amine
PubChem CID163276634
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2-methylcyclopentan-1-amine
SMILES[H]/N=C(\C=C(/NC1CCCC1C)C(=C)C)N1CCCCC1C
InChIInChI=1S/C18H31N3/c1-13(2)17(20-16-10-7-8-14(16)3)12-18(19)21-11-6-5-9-15(21)4/h12,14-16,19-20H,1,5-11H2,2-4H3/b17-12-,19-18+
InChIKeyLLSHOKPTJHHKJO-YNMQTYGTSA-N
XLogP4.08
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 54.08
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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Launch Full Analysis

Related Compounds

N-[(Z)-1-imino-1-(2-methylpiperidin-1-yl)pent-2-en-3-yl]-4-(trifluoromethyl)hexan-3-amine
CID 167047793
4-Methyl-5-piperidin-4-yl-1-prop-1-en-2-ylpyridin-2-imine
CID 123256021
1-But-1-en-2-yl-5-piperidin-4-ylpyridin-2-imine
CID 123286517
(3Z)-4-[1-[1-(2,3-dihydro-1H-pyrrol-3-yl)ethenyl]piperidin-4-yl]-3-ethylidene-1-heptan-4-ylpyrrol-2-imine
CID 142354944
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
(2Z)-2-(3-methylidene-6-propan-2-ylpiperidin-2-ylidene)-1-(2-methylpiperidin-1-yl)ethanimine
CID 167047775
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-5-(2-methylpiperidin-1-yl)-N-propylpenta-1,3-dien-3-amine
CID 167047786
2-[(3E)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]cyclopentan-1-amine
CID 167047789
2-N-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]butane-1,2-diamine
CID 167047790
(E)-2-ethyl-5-imino-5-(2-methylpiperidin-1-yl)-3-prop-1-en-2-ylpent-3-en-1-amine
CID 167047791

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-methylcyclopentan-1-amine?
The IUPAC name of N-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2-methylcyclopentan-1-amine (CID 163276634) is N-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2-methylcyclopentan-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-methylcyclopentan-1-amine?
The canonical SMILES for N-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2-methylcyclopentan-1-amine is [H]/N=C(\C=C(/NC1CCCC1C)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-methylcyclopentan-1-amine?
The InChIKey is LLSHOKPTJHHKJO-YNMQTYGTSA-N. The full InChI is InChI=1S/C18H31N3/c1-13(2)17(20-16-10-7-8-14(16)3)12-18(19)21-11-6-5-9-15(21)4/h12,14-16,19-20H,1,5-11H2,2-4H3/b17-12-,19-18+.
What are the key properties of N-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2-methylcyclopentan-1-amine?
N-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2-methylcyclopentan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 4.08, 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-methylcyclopentan-1-amine is sourced from PubChem (CID 163276634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).