2,2-dimethyl-N'-[(2-methyl-1H-indol-3-yl)methyl]propane-1,3-diamine

C15H23N3 — CID 115200029

IUPAC2,2-dimethyl-N'-[(2-methyl-1H-indol-3-yl)methyl]propane-1,3-diamine
SMILESCc1[nH]c2ccccc2c1CNCC(C)(C)CN
InChIInChI=1S/C15H23N3/c1-11-13(8-17-10-15(2,3)9-16)12-6-4-5-7-14(12)18-11/h4-7,17-18H,8-10,16H2,1-3H3
InChIKeyLEYOLXUGMOCEEY-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.55
Rot. Bonds5

About 2,2-dimethyl-N'-[(2-methyl-1H-indol-3-yl)methyl]propane-1,3-diamine

2,2-dimethyl-N'-[(2-methyl-1H-indol-3-yl)methyl]propane-1,3-diamine (PubChem CID 115200029) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2,2-dimethyl-N'-[(2-methyl-1H-indol-3-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N'-[(2-methyl-1H-indol-3-yl)methyl]propane-1,3-diamine
PubChem CID115200029
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2,2-dimethyl-N'-[(2-methyl-1H-indol-3-yl)methyl]propane-1,3-diamine
SMILESCc1[nH]c2ccccc2c1CNCC(C)(C)CN
InChIInChI=1S/C15H23N3/c1-11-13(8-17-10-15(2,3)9-16)12-6-4-5-7-14(12)18-11/h4-7,17-18H,8-10,16H2,1-3H3
InChIKeyLEYOLXUGMOCEEY-UHFFFAOYSA-N
XLogP2.55
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N'-[(2-methyl-1H-indol-3-yl)methyl]ethane-1,2-diamine
CID 115195851
1-[[(2-methyl-1H-indol-3-yl)methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242255
bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945
4-amino-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide
CID 115155288
4-methyl-1-N-[(2-methyl-1H-indol-3-yl)methyl]benzene-1,2-diamine
CID 115125055
3-ethyl-2-methyl-1H-indole;propane
CID 156727003
4-fluoro-2-N-[(2-methyl-1H-indol-3-yl)methyl]benzene-1,2-diamine
CID 115124154
2-methyl-4-(2-methyl-1H-indol-3-yl)butan-2-ol
CID 82471951
1-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]urea
CID 115169132
methyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate
CID 110782329
N-ethyl-3-(2-methyl-1H-indol-3-yl)propan-1-amine
CID 96658400
N-(chloromethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine
CID 115263355

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-[(2-methyl-1H-indol-3-yl)methyl]propane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-N'-[(2-methyl-1H-indol-3-yl)methyl]propane-1,3-diamine (CID 115200029) is 2,2-dimethyl-N'-[(2-methyl-1H-indol-3-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-N'-[(2-methyl-1H-indol-3-yl)methyl]propane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-N'-[(2-methyl-1H-indol-3-yl)methyl]propane-1,3-diamine is Cc1[nH]c2ccccc2c1CNCC(C)(C)CN.
What is the InChIKey of 2,2-dimethyl-N'-[(2-methyl-1H-indol-3-yl)methyl]propane-1,3-diamine?
The InChIKey is LEYOLXUGMOCEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-11-13(8-17-10-15(2,3)9-16)12-6-4-5-7-14(12)18-11/h4-7,17-18H,8-10,16H2,1-3H3.
What are the key properties of 2,2-dimethyl-N'-[(2-methyl-1H-indol-3-yl)methyl]propane-1,3-diamine?
2,2-dimethyl-N'-[(2-methyl-1H-indol-3-yl)methyl]propane-1,3-diamine has a molecular weight of 245.37 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-[(2-methyl-1H-indol-3-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 115200029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).