N'-[1-(1H-indol-3-yl)propan-2-yl]ethane-1,2-diamine

C13H19N3 — CID 3497526

IUPACN'-[1-(1H-indol-3-yl)propan-2-yl]ethane-1,2-diamine
SMILESCC(Cc1c[nH]c2ccccc12)NCCN
InChIInChI=1S/C13H19N3/c1-10(15-7-6-14)8-11-9-16-13-5-3-2-4-12(11)13/h2-5,9-10,15-16H,6-8,14H2,1H3
InChIKeyKHBOONIVGUMXEA-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.65
Rot. Bonds5

About N'-[1-(1H-indol-3-yl)propan-2-yl]ethane-1,2-diamine

N'-[1-(1H-indol-3-yl)propan-2-yl]ethane-1,2-diamine (PubChem CID 3497526) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N'-[1-(1H-indol-3-yl)propan-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(1H-indol-3-yl)propan-2-yl]ethane-1,2-diamine
PubChem CID3497526
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN'-[1-(1H-indol-3-yl)propan-2-yl]ethane-1,2-diamine
SMILESCC(Cc1c[nH]c2ccccc12)NCCN
InChIInChI=1S/C13H19N3/c1-10(15-7-6-14)8-11-9-16-13-5-3-2-4-12(11)13/h2-5,9-10,15-16H,6-8,14H2,1H3
InChIKeyKHBOONIVGUMXEA-UHFFFAOYSA-N
XLogP1.65
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminoethylamino)-3-(1H-indol-3-yl)propanoic acid
CID 75310465
methyl 3-[1-(1H-indol-3-yl)propan-2-ylamino]-2-methylpropanoate
CID 146188971
2-amino-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 582689
N-[3-(1H-indol-3-yl)propyl]-1-phenylpropan-2-amine
CID 110176604
2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]butan-1-amine
CID 162616789
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methylidenebutan-1-amine
CID 138643387
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
2,2-difluoro-3-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]propan-1-ol
CID 121410502
(2R)-1-(1H-indol-3-yl)-N-(oxetan-3-ylmethyl)propan-2-amine
CID 131965234
(2R)-1-(1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine
CID 175501585
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]cyclopropanamine
CID 95732551
2-chloro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 1162947

Frequently Asked Questions

What is the IUPAC name of N'-[1-(1H-indol-3-yl)propan-2-yl]ethane-1,2-diamine?
The IUPAC name of N'-[1-(1H-indol-3-yl)propan-2-yl]ethane-1,2-diamine (CID 3497526) is N'-[1-(1H-indol-3-yl)propan-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[1-(1H-indol-3-yl)propan-2-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[1-(1H-indol-3-yl)propan-2-yl]ethane-1,2-diamine is CC(Cc1c[nH]c2ccccc12)NCCN.
What is the InChIKey of N'-[1-(1H-indol-3-yl)propan-2-yl]ethane-1,2-diamine?
The InChIKey is KHBOONIVGUMXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-10(15-7-6-14)8-11-9-16-13-5-3-2-4-12(11)13/h2-5,9-10,15-16H,6-8,14H2,1H3.
What are the key properties of N'-[1-(1H-indol-3-yl)propan-2-yl]ethane-1,2-diamine?
N'-[1-(1H-indol-3-yl)propan-2-yl]ethane-1,2-diamine has a molecular weight of 217.32 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(1H-indol-3-yl)propan-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 3497526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).