N,1-dimethyl-3-[(Z)-prop-1-enyl]-5-(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-5,6-dihydroindol-2-amine

C22H30N2 — CID 170272173

IUPACN,1-dimethyl-3-[(Z)-prop-1-enyl]-5-(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-5,6-dihydroindol-2-amine
SMILESC/C=C\c1c(NC)n(C)c2c1=CC(C1C(C)=CC(C)=CC1C)CC=2
InChIInChI=1S/C22H30N2/c1-7-8-18-19-13-17(9-10-20(19)24(6)22(18)23-5)21-15(3)11-14(2)12-16(21)4/h7-8,10-13,15,17,21,23H,9H2,1-6H3/b8-7-
InChIKeyKEJXMBGHCMRKOB-FPLPWBNLSA-N
MW322.50 g/mol
LogP3.84
Rot. Bonds3

About N,1-dimethyl-3-[(Z)-prop-1-enyl]-5-(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-5,6-dihydroindol-2-amine

N,1-dimethyl-3-[(Z)-prop-1-enyl]-5-(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-5,6-dihydroindol-2-amine (PubChem CID 170272173) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is N,1-dimethyl-3-[(Z)-prop-1-enyl]-5-(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-5,6-dihydroindol-2-amine.

Molecular Properties

Compound NameN,1-dimethyl-3-[(Z)-prop-1-enyl]-5-(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-5,6-dihydroindol-2-amine
PubChem CID170272173
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC NameN,1-dimethyl-3-[(Z)-prop-1-enyl]-5-(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-5,6-dihydroindol-2-amine
SMILESC/C=C\c1c(NC)n(C)c2c1=CC(C1C(C)=CC(C)=CC1C)CC=2
InChIInChI=1S/C22H30N2/c1-7-8-18-19-13-17(9-10-20(19)24(6)22(18)23-5)21-15(3)11-14(2)12-16(21)4/h7-8,10-13,15,17,21,23H,9H2,1-6H3/b8-7-
InChIKeyKEJXMBGHCMRKOB-FPLPWBNLSA-N
XLogP3.84
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-3-[(Z)-prop-1-enyl]-5-(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-5,6-dihydroindol-2-amine?
The IUPAC name of N,1-dimethyl-3-[(Z)-prop-1-enyl]-5-(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-5,6-dihydroindol-2-amine (CID 170272173) is N,1-dimethyl-3-[(Z)-prop-1-enyl]-5-(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-5,6-dihydroindol-2-amine.
What is the SMILES notation for N,1-dimethyl-3-[(Z)-prop-1-enyl]-5-(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-5,6-dihydroindol-2-amine?
The canonical SMILES for N,1-dimethyl-3-[(Z)-prop-1-enyl]-5-(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-5,6-dihydroindol-2-amine is C/C=C\c1c(NC)n(C)c2c1=CC(C1C(C)=CC(C)=CC1C)CC=2.
What is the InChIKey of N,1-dimethyl-3-[(Z)-prop-1-enyl]-5-(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-5,6-dihydroindol-2-amine?
The InChIKey is KEJXMBGHCMRKOB-FPLPWBNLSA-N. The full InChI is InChI=1S/C22H30N2/c1-7-8-18-19-13-17(9-10-20(19)24(6)22(18)23-5)21-15(3)11-14(2)12-16(21)4/h7-8,10-13,15,17,21,23H,9H2,1-6H3/b8-7-.
What are the key properties of N,1-dimethyl-3-[(Z)-prop-1-enyl]-5-(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-5,6-dihydroindol-2-amine?
N,1-dimethyl-3-[(Z)-prop-1-enyl]-5-(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-5,6-dihydroindol-2-amine has a molecular weight of 322.50 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-3-[(Z)-prop-1-enyl]-5-(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-5,6-dihydroindol-2-amine is sourced from PubChem (CID 170272173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).