1-[(2,3-dimethyl-1H-indol-7-yl)methyl]-N,N-dimethylazepan-4-amine

C19H29N3 — CID 56889867

IUPAC1-[(2,3-dimethyl-1H-indol-7-yl)methyl]-N,N-dimethylazepan-4-amine
SMILESCc1[nH]c2c(CN3CCCC(N(C)C)CC3)cccc2c1C
InChIInChI=1S/C19H29N3/c1-14-15(2)20-19-16(7-5-9-18(14)19)13-22-11-6-8-17(10-12-22)21(3)4/h5,7,9,17,20H,6,8,10-13H2,1-4H3
InChIKeyJZGRNHWVSLILAM-UHFFFAOYSA-N
MW299.46 g/mol
LogP3.70
Rot. Bonds3

About 1-[(2,3-dimethyl-1H-indol-7-yl)methyl]-N,N-dimethylazepan-4-amine

1-[(2,3-dimethyl-1H-indol-7-yl)methyl]-N,N-dimethylazepan-4-amine (PubChem CID 56889867) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 1-[(2,3-dimethyl-1H-indol-7-yl)methyl]-N,N-dimethylazepan-4-amine.

Molecular Properties

Compound Name1-[(2,3-dimethyl-1H-indol-7-yl)methyl]-N,N-dimethylazepan-4-amine
PubChem CID56889867
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name1-[(2,3-dimethyl-1H-indol-7-yl)methyl]-N,N-dimethylazepan-4-amine
SMILESCc1[nH]c2c(CN3CCCC(N(C)C)CC3)cccc2c1C
InChIInChI=1S/C19H29N3/c1-14-15(2)20-19-16(7-5-9-18(14)19)13-22-11-6-8-17(10-12-22)21(3)4/h5,7,9,17,20H,6,8,10-13H2,1-4H3
InChIKeyJZGRNHWVSLILAM-UHFFFAOYSA-N
XLogP3.70
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-7-[[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methyl]-1H-indole
CID 77087226
3-[(dimethylamino)methyl]-1-[(2,3-dimethyl-1H-indol-7-yl)methyl]pyrrolidin-3-ol
CID 70748363
7-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,3-dimethyl-1H-indole
CID 156608116
4-[1-[(2,3-dimethyl-1H-indol-7-yl)methyl]azetidin-3-yl]morpholine
CID 77085757
(3S)-1-(1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-3-amine
CID 164637157
1-[(2-bromo-3-methylphenyl)methyl]-N,N-dimethylpiperidin-4-amine
CID 172648455
(4S)-N,N-dimethyl-1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]azepan-4-amine
CID 99933542
9-[(2,3-dimethyl-1H-indol-7-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56906368
3-[[(4S)-4-(dimethylamino)azepan-1-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 95711780
1-(2,3-dihydro-1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 114327059
N,N-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 23470284
(4S)-1-(1H-indazol-7-ylmethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine
CID 129344375

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethyl-1H-indol-7-yl)methyl]-N,N-dimethylazepan-4-amine?
The IUPAC name of 1-[(2,3-dimethyl-1H-indol-7-yl)methyl]-N,N-dimethylazepan-4-amine (CID 56889867) is 1-[(2,3-dimethyl-1H-indol-7-yl)methyl]-N,N-dimethylazepan-4-amine.
What is the SMILES notation for 1-[(2,3-dimethyl-1H-indol-7-yl)methyl]-N,N-dimethylazepan-4-amine?
The canonical SMILES for 1-[(2,3-dimethyl-1H-indol-7-yl)methyl]-N,N-dimethylazepan-4-amine is Cc1[nH]c2c(CN3CCCC(N(C)C)CC3)cccc2c1C.
What is the InChIKey of 1-[(2,3-dimethyl-1H-indol-7-yl)methyl]-N,N-dimethylazepan-4-amine?
The InChIKey is JZGRNHWVSLILAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3/c1-14-15(2)20-19-16(7-5-9-18(14)19)13-22-11-6-8-17(10-12-22)21(3)4/h5,7,9,17,20H,6,8,10-13H2,1-4H3.
What are the key properties of 1-[(2,3-dimethyl-1H-indol-7-yl)methyl]-N,N-dimethylazepan-4-amine?
1-[(2,3-dimethyl-1H-indol-7-yl)methyl]-N,N-dimethylazepan-4-amine has a molecular weight of 299.46 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethyl-1H-indol-7-yl)methyl]-N,N-dimethylazepan-4-amine is sourced from PubChem (CID 56889867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).