N,N-dimethyl-2-(1-propyl-5,6-dihydroindol-3-yl)ethanamine;1-[(4-ethenylcyclohexa-2,4-dien-1-yl)methyl]piperidine

C29H45N3 — CID 176680222

IUPACN,N-dimethyl-2-(1-propyl-5,6-dihydroindol-3-yl)ethanamine;1-[(4-ethenylcyclohexa-2,4-dien-1-yl)methyl]piperidine
SMILESC=CC1=CCC(CN2CCCCC2)C=C1.CCCn1cc(CCN(C)C)c2c1=CCCC=2
InChIInChI=1S/C15H24N2.C14H21N/c1-4-10-17-12-13(9-11-16(2)3)14-7-5-6-8-15(14)17;1-2-13-6-8-14(9-7-13)12-15-10-4-3-5-11-15/h7-8,12H,4-6,9-11H2,1-3H3;2,6-8,14H,1,3-5,9-12H2
InChIKeyIYXNUKXDTCRXEF-UHFFFAOYSA-N
MW435.70 g/mol
LogP4.52
Rot. Bonds8

About N,N-dimethyl-2-(1-propyl-5,6-dihydroindol-3-yl)ethanamine;1-[(4-ethenylcyclohexa-2,4-dien-1-yl)methyl]piperidine

N,N-dimethyl-2-(1-propyl-5,6-dihydroindol-3-yl)ethanamine;1-[(4-ethenylcyclohexa-2,4-dien-1-yl)methyl]piperidine (PubChem CID 176680222) has the molecular formula C29H45N3 and a molecular weight of 435.70 g/mol. Its IUPAC name is N,N-dimethyl-2-(1-propyl-5,6-dihydroindol-3-yl)ethanamine;1-[(4-ethenylcyclohexa-2,4-dien-1-yl)methyl]piperidine.

Molecular Properties

Compound NameN,N-dimethyl-2-(1-propyl-5,6-dihydroindol-3-yl)ethanamine;1-[(4-ethenylcyclohexa-2,4-dien-1-yl)methyl]piperidine
PubChem CID176680222
Molecular FormulaC29H45N3
Molecular Weight435.70 g/mol
Exact Mass435.36
IUPAC NameN,N-dimethyl-2-(1-propyl-5,6-dihydroindol-3-yl)ethanamine;1-[(4-ethenylcyclohexa-2,4-dien-1-yl)methyl]piperidine
SMILESC=CC1=CCC(CN2CCCCC2)C=C1.CCCn1cc(CCN(C)C)c2c1=CCCC=2
InChIInChI=1S/C15H24N2.C14H21N/c1-4-10-17-12-13(9-11-16(2)3)14-7-5-6-8-15(14)17;1-2-13-6-8-14(9-7-13)12-15-10-4-3-5-11-15/h7-8,12H,4-6,9-11H2,1-3H3;2,6-8,14H,1,3-5,9-12H2
InChIKeyIYXNUKXDTCRXEF-UHFFFAOYSA-N
XLogP4.52
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.70
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1-propyl-5,6-dihydroindol-3-yl)ethanamine;1-[(4-ethenylcyclohexa-2,4-dien-1-yl)methyl]piperidine?
The IUPAC name of N,N-dimethyl-2-(1-propyl-5,6-dihydroindol-3-yl)ethanamine;1-[(4-ethenylcyclohexa-2,4-dien-1-yl)methyl]piperidine (CID 176680222) is N,N-dimethyl-2-(1-propyl-5,6-dihydroindol-3-yl)ethanamine;1-[(4-ethenylcyclohexa-2,4-dien-1-yl)methyl]piperidine.
What is the SMILES notation for N,N-dimethyl-2-(1-propyl-5,6-dihydroindol-3-yl)ethanamine;1-[(4-ethenylcyclohexa-2,4-dien-1-yl)methyl]piperidine?
The canonical SMILES for N,N-dimethyl-2-(1-propyl-5,6-dihydroindol-3-yl)ethanamine;1-[(4-ethenylcyclohexa-2,4-dien-1-yl)methyl]piperidine is C=CC1=CCC(CN2CCCCC2)C=C1.CCCn1cc(CCN(C)C)c2c1=CCCC=2.
What is the InChIKey of N,N-dimethyl-2-(1-propyl-5,6-dihydroindol-3-yl)ethanamine;1-[(4-ethenylcyclohexa-2,4-dien-1-yl)methyl]piperidine?
The InChIKey is IYXNUKXDTCRXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2.C14H21N/c1-4-10-17-12-13(9-11-16(2)3)14-7-5-6-8-15(14)17;1-2-13-6-8-14(9-7-13)12-15-10-4-3-5-11-15/h7-8,12H,4-6,9-11H2,1-3H3;2,6-8,14H,1,3-5,9-12H2.
What are the key properties of N,N-dimethyl-2-(1-propyl-5,6-dihydroindol-3-yl)ethanamine;1-[(4-ethenylcyclohexa-2,4-dien-1-yl)methyl]piperidine?
N,N-dimethyl-2-(1-propyl-5,6-dihydroindol-3-yl)ethanamine;1-[(4-ethenylcyclohexa-2,4-dien-1-yl)methyl]piperidine has a molecular weight of 435.70 g/mol, XLogP of 4.52, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1-propyl-5,6-dihydroindol-3-yl)ethanamine;1-[(4-ethenylcyclohexa-2,4-dien-1-yl)methyl]piperidine is sourced from PubChem (CID 176680222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).