N-[[(3E)-4-methylidene-3-prop-2-enylidene-2-pyridinyl]methyl]-N-(2-methylpropyl)piperidin-4-amine

C19H29N3 — CID 143113282

IUPACN-[[(3E)-4-methylidene-3-prop-2-enylidene-2-pyridinyl]methyl]-N-(2-methylpropyl)piperidin-4-amine
SMILESC=C/C=c1/c(CN(CC(C)C)C2CCNCC2)nccc1=C
InChIInChI=1S/C19H29N3/c1-5-6-18-16(4)7-12-21-19(18)14-22(13-15(2)3)17-8-10-20-11-9-17/h5-7,12,15,17,20H,1,4,8-11,13-14H2,2-3H3/b18-6+
InChIKeyMGJHOPNQFAAULG-NGYBGAFCSA-N
MW299.46 g/mol
LogP1.67
Rot. Bonds6

About N-[[(3E)-4-methylidene-3-prop-2-enylidene-2-pyridinyl]methyl]-N-(2-methylpropyl)piperidin-4-amine

N-[[(3E)-4-methylidene-3-prop-2-enylidene-2-pyridinyl]methyl]-N-(2-methylpropyl)piperidin-4-amine (PubChem CID 143113282) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is N-[[(3E)-4-methylidene-3-prop-2-enylidene-2-pyridinyl]methyl]-N-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[[(3E)-4-methylidene-3-prop-2-enylidene-2-pyridinyl]methyl]-N-(2-methylpropyl)piperidin-4-amine
PubChem CID143113282
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC NameN-[[(3E)-4-methylidene-3-prop-2-enylidene-2-pyridinyl]methyl]-N-(2-methylpropyl)piperidin-4-amine
SMILESC=C/C=c1/c(CN(CC(C)C)C2CCNCC2)nccc1=C
InChIInChI=1S/C19H29N3/c1-5-6-18-16(4)7-12-21-19(18)14-22(13-15(2)3)17-8-10-20-11-9-17/h5-7,12,15,17,20H,1,4,8-11,13-14H2,2-3H3/b18-6+
InChIKeyMGJHOPNQFAAULG-NGYBGAFCSA-N
XLogP1.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(3E)-4-methylidene-3-prop-2-enylidene-2-pyridinyl]methyl]-N-(2-methylpropyl)piperidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[(5Z,6E)-6-(aminomethylidene)-3-(6-ethyl-5-fluoro-2,3-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085515
8-methyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole
CID 68519754
N-[(5Z)-6-(aminomethyl)-3-methyl-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-1-methylpiperidin-4-amine
CID 88905238
N-[(5Z,6E)-6-(aminomethylidene)-3-(6-methyl-2,3-dihydropyridin-2-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085531
1-[(3E,4E)-3-(2-cyclohexa-1,5-dien-1-yl-2-ethenyliminoethylidene)hepta-4,6-dien-2-yl]-N,N-diethylpiperidin-4-amine
CID 117611664
7-Piperidin-4-yl-7-azoniabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-amine
CID 123779829
5,10-Dimethyl-1,2,3,4,8,9-hexahydropyrido[3,2-b]azocin-5-ium
CID 123870333
1-[(6-ethylimino-5-methylidene-3-piperidin-1-ylcyclohexa-1,3-dien-1-yl)methyl]-N-[(Z)-pent-3-en-2-yl]piperidin-4-amine
CID 139420046
2-(1,2-Dihydropyridin-5-yl)-6-(3,4-dihydropyridin-2-yl)-1,2-dihydropyridine
CID 141002624
1-(3,6-dimethyl-1,2,3,6-tetrahydropyridin-5-yl)-N-ethenylprop-2-en-1-imine;ethane
CID 141923232
(2Z)-2-butan-2-ylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine
CID 142833341
N-[(3-amino-4-iminocyclohexa-1,5-dien-1-yl)methyl]-1-propylpiperidin-4-amine;propane
CID 143221297

Frequently Asked Questions

What is the IUPAC name of N-[[(3E)-4-methylidene-3-prop-2-enylidene-2-pyridinyl]methyl]-N-(2-methylpropyl)piperidin-4-amine?
The IUPAC name of N-[[(3E)-4-methylidene-3-prop-2-enylidene-2-pyridinyl]methyl]-N-(2-methylpropyl)piperidin-4-amine (CID 143113282) is N-[[(3E)-4-methylidene-3-prop-2-enylidene-2-pyridinyl]methyl]-N-(2-methylpropyl)piperidin-4-amine.
What is the SMILES notation for N-[[(3E)-4-methylidene-3-prop-2-enylidene-2-pyridinyl]methyl]-N-(2-methylpropyl)piperidin-4-amine?
The canonical SMILES for N-[[(3E)-4-methylidene-3-prop-2-enylidene-2-pyridinyl]methyl]-N-(2-methylpropyl)piperidin-4-amine is C=C/C=c1/c(CN(CC(C)C)C2CCNCC2)nccc1=C.
What is the InChIKey of N-[[(3E)-4-methylidene-3-prop-2-enylidene-2-pyridinyl]methyl]-N-(2-methylpropyl)piperidin-4-amine?
The InChIKey is MGJHOPNQFAAULG-NGYBGAFCSA-N. The full InChI is InChI=1S/C19H29N3/c1-5-6-18-16(4)7-12-21-19(18)14-22(13-15(2)3)17-8-10-20-11-9-17/h5-7,12,15,17,20H,1,4,8-11,13-14H2,2-3H3/b18-6+.
What are the key properties of N-[[(3E)-4-methylidene-3-prop-2-enylidene-2-pyridinyl]methyl]-N-(2-methylpropyl)piperidin-4-amine?
N-[[(3E)-4-methylidene-3-prop-2-enylidene-2-pyridinyl]methyl]-N-(2-methylpropyl)piperidin-4-amine has a molecular weight of 299.46 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3E)-4-methylidene-3-prop-2-enylidene-2-pyridinyl]methyl]-N-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 143113282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).