1-N-(1H-indol-3-yl)-3-methylbutane-1,3-diamine

C13H19N3 — CID 115200367

IUPAC1-N-(1H-indol-3-yl)-3-methylbutane-1,3-diamine
SMILESCC(C)(N)CCNc1c[nH]c2ccccc12
InChIInChI=1S/C13H19N3/c1-13(2,14)7-8-15-12-9-16-11-6-4-3-5-10(11)12/h3-6,9,15-16H,7-8,14H2,1-2H3
InChIKeyLGXXVDPGXNJQMG-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.71
Rot. Bonds4

About 1-N-(1H-indol-3-yl)-3-methylbutane-1,3-diamine

1-N-(1H-indol-3-yl)-3-methylbutane-1,3-diamine (PubChem CID 115200367) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 1-N-(1H-indol-3-yl)-3-methylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(1H-indol-3-yl)-3-methylbutane-1,3-diamine
PubChem CID115200367
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name1-N-(1H-indol-3-yl)-3-methylbutane-1,3-diamine
SMILESCC(C)(N)CCNc1c[nH]c2ccccc12
InChIInChI=1S/C13H19N3/c1-13(2,14)7-8-15-12-9-16-11-6-4-3-5-10(11)12/h3-6,9,15-16H,7-8,14H2,1-2H3
InChIKeyLGXXVDPGXNJQMG-UHFFFAOYSA-N
XLogP2.71
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(1H-indol-3-yl)-N-methylethane-1,2-diamine
CID 115195726
1-N-(1H-indol-3-yl)butane-1,3-diamine
CID 115199018
N'-(1H-indol-3-yl)methanediamine
CID 115225408
N-ethyl-1H-indol-3-amine
CID 22497863
N'-(1H-indol-3-yl)-N-methylbutane-1,4-diamine
CID 115201685
N-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 115206245
N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
CID 91539379
N-prop-2-ynyl-1H-indol-3-amine
CID 57486159
3-methyl-1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine
CID 115200369
N-(azetidin-3-ylmethyl)-1H-indol-3-amine
CID 115207247
N-(2-methylbutyl)-1H-indol-3-amine
CID 175206983
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1H-indol-3-amine
CID 115244510

Frequently Asked Questions

What is the IUPAC name of 1-N-(1H-indol-3-yl)-3-methylbutane-1,3-diamine?
The IUPAC name of 1-N-(1H-indol-3-yl)-3-methylbutane-1,3-diamine (CID 115200367) is 1-N-(1H-indol-3-yl)-3-methylbutane-1,3-diamine.
What is the SMILES notation for 1-N-(1H-indol-3-yl)-3-methylbutane-1,3-diamine?
The canonical SMILES for 1-N-(1H-indol-3-yl)-3-methylbutane-1,3-diamine is CC(C)(N)CCNc1c[nH]c2ccccc12.
What is the InChIKey of 1-N-(1H-indol-3-yl)-3-methylbutane-1,3-diamine?
The InChIKey is LGXXVDPGXNJQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-13(2,14)7-8-15-12-9-16-11-6-4-3-5-10(11)12/h3-6,9,15-16H,7-8,14H2,1-2H3.
What are the key properties of 1-N-(1H-indol-3-yl)-3-methylbutane-1,3-diamine?
1-N-(1H-indol-3-yl)-3-methylbutane-1,3-diamine has a molecular weight of 217.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1H-indol-3-yl)-3-methylbutane-1,3-diamine is sourced from PubChem (CID 115200367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).