N,2-dimethyl-3-[(3Z)-4-[1-(2-methylpropyl)piperidin-4-yl]hepta-1,3-dien-3-yl]iminopropan-1-amine

C21H39N3 — CID 91241257

IUPACN,2-dimethyl-3-[(3Z)-4-[1-(2-methylpropyl)piperidin-4-yl]hepta-1,3-dien-3-yl]iminopropan-1-amine
SMILESC=CC(/N=C/C(C)CNC)=C(\CCC)C1CCN(CC(C)C)CC1
InChIInChI=1S/C21H39N3/c1-7-9-20(21(8-2)23-15-18(5)14-22-6)19-10-12-24(13-11-19)16-17(3)4/h8,15,17-19,22H,2,7,9-14,16H2,1,3-6H3/b21-20-,23-15+
InChIKeyLBUMCBHLTIUMGF-YOHVXWMKSA-N
MW333.56 g/mol
LogP4.52
Rot. Bonds10

About N,2-dimethyl-3-[(3Z)-4-[1-(2-methylpropyl)piperidin-4-yl]hepta-1,3-dien-3-yl]iminopropan-1-amine

N,2-dimethyl-3-[(3Z)-4-[1-(2-methylpropyl)piperidin-4-yl]hepta-1,3-dien-3-yl]iminopropan-1-amine (PubChem CID 91241257) has the molecular formula C21H39N3 and a molecular weight of 333.56 g/mol. Its IUPAC name is N,2-dimethyl-3-[(3Z)-4-[1-(2-methylpropyl)piperidin-4-yl]hepta-1,3-dien-3-yl]iminopropan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-3-[(3Z)-4-[1-(2-methylpropyl)piperidin-4-yl]hepta-1,3-dien-3-yl]iminopropan-1-amine
PubChem CID91241257
Molecular FormulaC21H39N3
Molecular Weight333.56 g/mol
Exact Mass333.31
IUPAC NameN,2-dimethyl-3-[(3Z)-4-[1-(2-methylpropyl)piperidin-4-yl]hepta-1,3-dien-3-yl]iminopropan-1-amine
SMILESC=CC(/N=C/C(C)CNC)=C(\CCC)C1CCN(CC(C)C)CC1
InChIInChI=1S/C21H39N3/c1-7-9-20(21(8-2)23-15-18(5)14-22-6)19-10-12-24(13-11-19)16-17(3)4/h8,15,17-19,22H,2,7,9-14,16H2,1,3-6H3/b21-20-,23-15+
InChIKeyLBUMCBHLTIUMGF-YOHVXWMKSA-N
XLogP4.52
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.56
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N,2-dimethyl-3-[(3Z)-4-[1-(2-methylpropyl)piperidin-4-yl]hepta-1,3-dien-3-yl]iminopropan-1-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-[(3Z,7Z)-7-[(E)-1-fluoroprop-1-enyl]deca-1,3,7,9-tetraen-4-yl]-1-piperidin-4-ylmethanimine
CID 170199610
(8aS)-N,N-diethyl-2-[(2R)-2-fluoro-2H-pyridin-5-ylidene]-3,4,4a,5,8,8a-hexahydro-1H-quinolin-6-amine
CID 173518247
(6Z)-6-ethylidene-2-fluoro-N-methyl-4-[(2E,4E)-4-methyl-5-(4-piperidin-4-ylpentan-2-ylideneamino)hepta-2,4,6-trien-2-yl]cyclohexa-2,4-dien-1-imine
CID 153383279
N-[(5Z,6E)-6-(aminomethylidene)-3-(5-ethyl-3,4-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085439
12-(4-butyl-3,4-dihydropyridin-1-ium-1-yl)-N-[(Z,3Z)-3-prop-2-enylidenehept-1-enyl]dodecan-1-amine
CID 89108632
12-(4-propyl-3,4-dihydropyridin-1-ium-1-yl)-N-[(1Z,3Z)-3-propylhexa-1,3,5-trienyl]dodecan-1-amine
CID 89108640
(2E,5Z,7Z)-N,6-dimethyl-7-[(1-methylpiperidin-4-yl)methyl]-5-prop-2-enyldeca-2,5,7,9-tetraen-2-amine
CID 132059173
2-Methyl-6-(piperidin-4-ylmethyl)-1-azacyclohepta-2,3,5,7-tetraene
CID 134406694
(2E,4E,6E)-N,7-dimethyl-4-[(4Z,7Z)-3-methylidene-1-azacyclododeca-4,7-dien-1-yl]-8-(1-methylpiperidin-4-yl)nona-2,4,6,8-tetraen-2-amine
CID 138711146
7-(4,6-Dimethylcyclohex-3-en-1-yl)-4-hexyl-1,4,5,6,7,8,11,12-octahydroazepino[4,5-d][1]benzazepine
CID 142844915
ethane;(Z)-1-[1-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]piperidin-4-yl]-2-[1-(propan-2-ylideneamino)ethenyl]but-2-en-1-amine;methane
CID 143221478
ethane;3-N-[(Z)-3-(2-ethyliminoethyl)pent-3-enyl]-1-N-methyl-2-[(3Z)-6-methylhepta-1,3,5-trien-2-yl]hexane-1,3-diamine
CID 143825821

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-[(3Z)-4-[1-(2-methylpropyl)piperidin-4-yl]hepta-1,3-dien-3-yl]iminopropan-1-amine?
The IUPAC name of N,2-dimethyl-3-[(3Z)-4-[1-(2-methylpropyl)piperidin-4-yl]hepta-1,3-dien-3-yl]iminopropan-1-amine (CID 91241257) is N,2-dimethyl-3-[(3Z)-4-[1-(2-methylpropyl)piperidin-4-yl]hepta-1,3-dien-3-yl]iminopropan-1-amine.
What is the SMILES notation for N,2-dimethyl-3-[(3Z)-4-[1-(2-methylpropyl)piperidin-4-yl]hepta-1,3-dien-3-yl]iminopropan-1-amine?
The canonical SMILES for N,2-dimethyl-3-[(3Z)-4-[1-(2-methylpropyl)piperidin-4-yl]hepta-1,3-dien-3-yl]iminopropan-1-amine is C=CC(/N=C/C(C)CNC)=C(\CCC)C1CCN(CC(C)C)CC1.
What is the InChIKey of N,2-dimethyl-3-[(3Z)-4-[1-(2-methylpropyl)piperidin-4-yl]hepta-1,3-dien-3-yl]iminopropan-1-amine?
The InChIKey is LBUMCBHLTIUMGF-YOHVXWMKSA-N. The full InChI is InChI=1S/C21H39N3/c1-7-9-20(21(8-2)23-15-18(5)14-22-6)19-10-12-24(13-11-19)16-17(3)4/h8,15,17-19,22H,2,7,9-14,16H2,1,3-6H3/b21-20-,23-15+.
What are the key properties of N,2-dimethyl-3-[(3Z)-4-[1-(2-methylpropyl)piperidin-4-yl]hepta-1,3-dien-3-yl]iminopropan-1-amine?
N,2-dimethyl-3-[(3Z)-4-[1-(2-methylpropyl)piperidin-4-yl]hepta-1,3-dien-3-yl]iminopropan-1-amine has a molecular weight of 333.56 g/mol, XLogP of 4.52, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-[(3Z)-4-[1-(2-methylpropyl)piperidin-4-yl]hepta-1,3-dien-3-yl]iminopropan-1-amine is sourced from PubChem (CID 91241257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).