N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine

C17H28N4 — CID 80649137

IUPACN-(2,3-dihydro-1H-indol-7-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCN1CCN(CCCNCc2cccc3c2NCC3)CC1
InChIInChI=1S/C17H28N4/c1-20-10-12-21(13-11-20)9-3-7-18-14-16-5-2-4-15-6-8-19-17(15)16/h2,4-5,18-19H,3,6-14H2,1H3
InChIKeySEKBPUMFTBENEH-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.38
Rot. Bonds6

About N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine

N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine (PubChem CID 80649137) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine
PubChem CID80649137
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCN1CCN(CCCNCc2cccc3c2NCC3)CC1
InChIInChI=1S/C17H28N4/c1-20-10-12-21(13-11-20)9-3-7-18-14-16-5-2-4-15-6-8-19-17(15)16/h2,4-5,18-19H,3,6-14H2,1H3
InChIKeySEKBPUMFTBENEH-UHFFFAOYSA-N
XLogP1.38
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine
CID 80648840
N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-morpholin-4-ylethanamine
CID 80649987
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylsulfanylpropan-1-amine
CID 80650038
4-(2,3-dihydro-1H-indol-7-ylmethylamino)butan-1-ol
CID 106840914
7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole
CID 113277962
2-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenol
CID 28656653
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 80650079
4-(2,3-dihydro-1H-indol-7-ylmethylamino)butanoic acid
CID 80649501
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine
CID 80650398
N'-cyclopropyl-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N'-methylethane-1,2-diamine
CID 80649056
2-methyl-6-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenol
CID 115924245
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethenoxypropan-1-amine
CID 80649994

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine?
The IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine (CID 80649137) is N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine is CN1CCN(CCCNCc2cccc3c2NCC3)CC1.
What is the InChIKey of N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine?
The InChIKey is SEKBPUMFTBENEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-20-10-12-21(13-11-20)9-3-7-18-14-16-5-2-4-15-6-8-19-17(15)16/h2,4-5,18-19H,3,6-14H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine?
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine has a molecular weight of 288.44 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 80649137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).