(1E)-2,3-dimethyl-N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]buta-1,3-dien-1-amine

C18H27N3 — CID 166718902

IUPAC(1E)-2,3-dimethyl-N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]buta-1,3-dien-1-amine
SMILESC=C(C)/C(C)=C/NCc1ccc(N2CCCC(C)C2)nc1
InChIInChI=1S/C18H27N3/c1-14(2)16(4)10-19-11-17-7-8-18(20-12-17)21-9-5-6-15(3)13-21/h7-8,10,12,15,19H,1,5-6,9,11,13H2,2-4H3/b16-10+
InChIKeyPBKGGGRDVOPZOH-MHWRWJLKSA-N
MW285.44 g/mol
LogP3.89
Rot. Bonds5

About (1E)-2,3-dimethyl-N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]buta-1,3-dien-1-amine

(1E)-2,3-dimethyl-N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]buta-1,3-dien-1-amine (PubChem CID 166718902) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is (1E)-2,3-dimethyl-N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]buta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E)-2,3-dimethyl-N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]buta-1,3-dien-1-amine
PubChem CID166718902
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name(1E)-2,3-dimethyl-N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]buta-1,3-dien-1-amine
SMILESC=C(C)/C(C)=C/NCc1ccc(N2CCCC(C)C2)nc1
InChIInChI=1S/C18H27N3/c1-14(2)16(4)10-19-11-17-7-8-18(20-12-17)21-9-5-6-15(3)13-21/h7-8,10,12,15,19H,1,5-6,9,11,13H2,2-4H3/b16-10+
InChIKeyPBKGGGRDVOPZOH-MHWRWJLKSA-N
XLogP3.89
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1E)-2,3-dimethyl-N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]buta-1,3-dien-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 55055089
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133297091
1-[2-(3-methylpiperidin-1-yl)propyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea
CID 55746957
1-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-3-methylpiperidin-4-ol
CID 114679337
N-[[6-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 63621276
2-methyl-N-[[6-(4-methylazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 63625251
2-amino-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]acetamide
CID 82034957
1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-ol
CID 80630040
2-[1-[5-(ethylaminomethyl)-2-pyridinyl]piperidin-3-yl]ethanol
CID 107228184
N-methyl-1-[5-(3-methylpiperidin-1-yl)pyrazin-2-yl]methanamine
CID 107378854
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111143891
[6-(3-ethylpiperidin-1-yl)-3-pyridinyl]methanol
CID 61256877

Frequently Asked Questions

What is the IUPAC name of (1E)-2,3-dimethyl-N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]buta-1,3-dien-1-amine?
The IUPAC name of (1E)-2,3-dimethyl-N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]buta-1,3-dien-1-amine (CID 166718902) is (1E)-2,3-dimethyl-N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]buta-1,3-dien-1-amine.
What is the SMILES notation for (1E)-2,3-dimethyl-N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]buta-1,3-dien-1-amine?
The canonical SMILES for (1E)-2,3-dimethyl-N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]buta-1,3-dien-1-amine is C=C(C)/C(C)=C/NCc1ccc(N2CCCC(C)C2)nc1.
What is the InChIKey of (1E)-2,3-dimethyl-N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]buta-1,3-dien-1-amine?
The InChIKey is PBKGGGRDVOPZOH-MHWRWJLKSA-N. The full InChI is InChI=1S/C18H27N3/c1-14(2)16(4)10-19-11-17-7-8-18(20-12-17)21-9-5-6-15(3)13-21/h7-8,10,12,15,19H,1,5-6,9,11,13H2,2-4H3/b16-10+.
What are the key properties of (1E)-2,3-dimethyl-N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]buta-1,3-dien-1-amine?
(1E)-2,3-dimethyl-N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]buta-1,3-dien-1-amine has a molecular weight of 285.44 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2,3-dimethyl-N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]buta-1,3-dien-1-amine is sourced from PubChem (CID 166718902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).