N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-imidazol-1-ylethanamine

C14H18N4 — CID 80648565

IUPACN-(2,3-dihydro-1H-indol-7-ylmethyl)-2-imidazol-1-ylethanamine
SMILESc1cc2c(c(CNCCn3ccnc3)c1)NCC2
InChIInChI=1S/C14H18N4/c1-2-12-4-5-17-14(12)13(3-1)10-15-6-8-18-9-7-16-11-18/h1-3,7,9,11,15,17H,4-6,8,10H2
InChIKeyDIUXDLJPNQNAJV-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.64
Rot. Bonds5

About N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-imidazol-1-ylethanamine

N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-imidazol-1-ylethanamine (PubChem CID 80648565) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-imidazol-1-ylethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-2-imidazol-1-ylethanamine
PubChem CID80648565
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-2-imidazol-1-ylethanamine
SMILESc1cc2c(c(CNCCn3ccnc3)c1)NCC2
InChIInChI=1S/C14H18N4/c1-2-12-4-5-17-14(12)13(3-1)10-15-6-8-18-9-7-16-11-18/h1-3,7,9,11,15,17H,4-6,8,10H2
InChIKeyDIUXDLJPNQNAJV-UHFFFAOYSA-N
XLogP1.64
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1H-indol-7-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 80650079
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 80649137
4-(2,3-dihydro-1H-indol-7-ylmethylamino)butan-1-ol
CID 106840914
N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine
CID 80650330
2-imidazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 60658003
2-[(2-imidazol-1-ylethylamino)methyl]benzonitrile
CID 60695143
2-imidazol-1-yl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 66413704
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-phenylmethanamine
CID 80649878
4-(2,3-dihydro-1H-indol-7-ylmethylamino)butanoic acid
CID 80649501
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-methyl-4-pyridinyl)methanamine
CID 114699338
2-(1-methylimidazol-2-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 80648410
1-(2-bromophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine
CID 80649698

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-imidazol-1-ylethanamine?
The IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-imidazol-1-ylethanamine (CID 80648565) is N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-imidazol-1-ylethanamine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-imidazol-1-ylethanamine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-imidazol-1-ylethanamine is c1cc2c(c(CNCCn3ccnc3)c1)NCC2.
What is the InChIKey of N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-imidazol-1-ylethanamine?
The InChIKey is DIUXDLJPNQNAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-2-12-4-5-17-14(12)13(3-1)10-15-6-8-18-9-7-16-11-18/h1-3,7,9,11,15,17H,4-6,8,10H2.
What are the key properties of N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-imidazol-1-ylethanamine?
N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-imidazol-1-ylethanamine has a molecular weight of 242.33 g/mol, XLogP of 1.64, 5 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)-2-imidazol-1-ylethanamine is sourced from PubChem (CID 80648565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).