3-(3-ethylidene-2-methylideneindol-1-yl)-N,N-dimethylpropan-1-amine

C16H22N2 — CID 91345374

IUPAC3-(3-ethylidene-2-methylideneindol-1-yl)-N,N-dimethylpropan-1-amine
SMILESC=c1c(=CC)c2ccccc2n1CCCN(C)C
InChIInChI=1S/C16H22N2/c1-5-14-13(2)18(12-8-11-17(3)4)16-10-7-6-9-15(14)16/h5-7,9-10H,2,8,11-12H2,1,3-4H3
InChIKeyIZTXNNYIFNFVLP-UHFFFAOYSA-N
MW242.37 g/mol
LogP1.80
Rot. Bonds4

About 3-(3-ethylidene-2-methylideneindol-1-yl)-N,N-dimethylpropan-1-amine

3-(3-ethylidene-2-methylideneindol-1-yl)-N,N-dimethylpropan-1-amine (PubChem CID 91345374) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 3-(3-ethylidene-2-methylideneindol-1-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(3-ethylidene-2-methylideneindol-1-yl)-N,N-dimethylpropan-1-amine
PubChem CID91345374
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name3-(3-ethylidene-2-methylideneindol-1-yl)-N,N-dimethylpropan-1-amine
SMILESC=c1c(=CC)c2ccccc2n1CCCN(C)C
InChIInChI=1S/C16H22N2/c1-5-14-13(2)18(12-8-11-17(3)4)16-10-7-6-9-15(14)16/h5-7,9-10H,2,8,11-12H2,1,3-4H3
InChIKeyIZTXNNYIFNFVLP-UHFFFAOYSA-N
XLogP1.80
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[3-(dimethylamino)propyl]thieno[3,2-c]quinolin-4-one
CID 1211818
4-[3-(dimethylamino)propyl]-2-methyl-1H-pyrrolo[3,4-b]indol-3-one
CID 97356822
10-[2-(dimethylamino)ethyl]acridin-9-one
CID 3014731
3-(2,4-difluorocarbazol-9-yl)-N,N-dimethylpropan-1-amine
CID 138115553
3-(1,3-dimethylpyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine
CID 1403670
N,N-dimethyl-3-(3-nitrocarbazol-9-yl)propan-1-amine
CID 15621619
1-[3-(dimethylamino)propyl]indol-3-amine
CID 70997307
3-(1-ethyl-2-methylindol-3-yl)-N,N-dimethylpropan-1-amine
CID 170866943
10-chloro-5-[3-(dimethylamino)propyl]-7H-indolo[2,3-c]quinolin-6-one
CID 21445423
3-[3-(dimethylamino)propyl]-23-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one
CID 67874484
2-[3-(dimethylamino)propyl]-1-phenylisoquinolin-3-one
CID 71325764
(3Z)-1-ethyl-2-methylidene-3-[(4-methylphenyl)methylidene]indole
CID 88576648

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylidene-2-methylideneindol-1-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(3-ethylidene-2-methylideneindol-1-yl)-N,N-dimethylpropan-1-amine (CID 91345374) is 3-(3-ethylidene-2-methylideneindol-1-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(3-ethylidene-2-methylideneindol-1-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(3-ethylidene-2-methylideneindol-1-yl)-N,N-dimethylpropan-1-amine is C=c1c(=CC)c2ccccc2n1CCCN(C)C.
What is the InChIKey of 3-(3-ethylidene-2-methylideneindol-1-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is IZTXNNYIFNFVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-5-14-13(2)18(12-8-11-17(3)4)16-10-7-6-9-15(14)16/h5-7,9-10H,2,8,11-12H2,1,3-4H3.
What are the key properties of 3-(3-ethylidene-2-methylideneindol-1-yl)-N,N-dimethylpropan-1-amine?
3-(3-ethylidene-2-methylideneindol-1-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 242.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylidene-2-methylideneindol-1-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 91345374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).