N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-(2-piperidin-2-ylethyl)-2,3-dihydro-1H-inden-2-amine

C23H32N2 — CID 134382774

IUPACN-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-(2-piperidin-2-ylethyl)-2,3-dihydro-1H-inden-2-amine
SMILESC=C/C=C(\C=C/C)N(CCC1CCCCN1)C1Cc2ccccc2C1
InChIInChI=1S/C23H32N2/c1-3-9-22(10-4-2)25(16-14-21-13-7-8-15-24-21)23-17-19-11-5-6-12-20(19)18-23/h3-6,9-12,21,23-24H,1,7-8,13-18H2,2H3/b10-4-,22-9+
InChIKeyMSIJWIXIXUPUIP-IPWWSSOJSA-N
MW336.52 g/mol
LogP4.63
Rot. Bonds7

About N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-(2-piperidin-2-ylethyl)-2,3-dihydro-1H-inden-2-amine

N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-(2-piperidin-2-ylethyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 134382774) has the molecular formula C23H32N2 and a molecular weight of 336.52 g/mol. Its IUPAC name is N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-(2-piperidin-2-ylethyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-(2-piperidin-2-ylethyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID134382774
Molecular FormulaC23H32N2
Molecular Weight336.52 g/mol
Exact Mass336.26
IUPAC NameN-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-(2-piperidin-2-ylethyl)-2,3-dihydro-1H-inden-2-amine
SMILESC=C/C=C(\C=C/C)N(CCC1CCCCN1)C1Cc2ccccc2C1
InChIInChI=1S/C23H32N2/c1-3-9-22(10-4-2)25(16-14-21-13-7-8-15-24-21)23-17-19-11-5-6-12-20(19)18-23/h3-6,9-12,21,23-24H,1,7-8,13-18H2,2H3/b10-4-,22-9+
InChIKeyMSIJWIXIXUPUIP-IPWWSSOJSA-N
XLogP4.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2,3-dihydro-1H-inden-2-amine
CID 134382841
ethane;N-(2-fluorophenyl)-N-(2-pyrrolidin-2-ylethyl)-2,3-dihydro-1H-inden-2-amine
CID 144575319
N-methyl-N-(2-piperidin-2-ylethyl)cyclohexanamine
CID 43149893
N-methyl-N-(2-piperidin-2-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43187174
N-methyl-2-piperidin-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 66273419
N-methyl-2-phenyl-N-(2-piperidin-2-ylethyl)acetamide
CID 43187176
N-[2-[(2S)-piperidin-2-yl]ethyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 124681379
N-(5-methylcyclohepta-1,3,6-trien-1-yl)-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 123562118
N,N-dimethyl-2-[(2S)-piperidin-2-yl]ethanamine
CID 7019358
N-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine
CID 115211204
3-benzyl-1-methyl-1-(2-piperidin-2-ylethyl)urea
CID 107653392
N-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 106604683

Frequently Asked Questions

What is the IUPAC name of N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-(2-piperidin-2-ylethyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-(2-piperidin-2-ylethyl)-2,3-dihydro-1H-inden-2-amine (CID 134382774) is N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-(2-piperidin-2-ylethyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-(2-piperidin-2-ylethyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-(2-piperidin-2-ylethyl)-2,3-dihydro-1H-inden-2-amine is C=C/C=C(\C=C/C)N(CCC1CCCCN1)C1Cc2ccccc2C1.
What is the InChIKey of N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-(2-piperidin-2-ylethyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is MSIJWIXIXUPUIP-IPWWSSOJSA-N. The full InChI is InChI=1S/C23H32N2/c1-3-9-22(10-4-2)25(16-14-21-13-7-8-15-24-21)23-17-19-11-5-6-12-20(19)18-23/h3-6,9-12,21,23-24H,1,7-8,13-18H2,2H3/b10-4-,22-9+.
What are the key properties of N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-(2-piperidin-2-ylethyl)-2,3-dihydro-1H-inden-2-amine?
N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-(2-piperidin-2-ylethyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 336.52 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-(2-piperidin-2-ylethyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 134382774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).