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

C16H25N3 — CID 115200722

IUPAC1-N,3-dimethyl-1-N-[(2-methyl-1H-indol-3-yl)methyl]butane-1,3-diamine
SMILESCc1[nH]c2ccccc2c1CN(C)CCC(C)(C)N
InChIInChI=1S/C16H25N3/c1-12-14(11-19(4)10-9-16(2,3)17)13-7-5-6-8-15(13)18-12/h5-8,18H,9-11,17H2,1-4H3
InChIKeyCJFSYXMDLXUQJX-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.04
Rot. Bonds5

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

1-N,3-dimethyl-1-N-[(2-methyl-1H-indol-3-yl)methyl]butane-1,3-diamine (PubChem CID 115200722) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-N,3-dimethyl-1-N-[(2-methyl-1H-indol-3-yl)methyl]butane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-dimethyl-1-N-[(2-methyl-1H-indol-3-yl)methyl]butane-1,3-diamine
PubChem CID115200722
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-N,3-dimethyl-1-N-[(2-methyl-1H-indol-3-yl)methyl]butane-1,3-diamine
SMILESCc1[nH]c2ccccc2c1CN(C)CCC(C)(C)N
InChIInChI=1S/C16H25N3/c1-12-14(11-19(4)10-9-16(2,3)17)13-7-5-6-8-15(13)18-12/h5-8,18H,9-11,17H2,1-4H3
InChIKeyCJFSYXMDLXUQJX-UHFFFAOYSA-N
XLogP3.04
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.04
H-Bond Donors ≤ 52
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-(chloromethyl)-N-methyl-1-(2-methyl-1H-indol-3-yl)methanamine
CID 115263193
2-N-methyl-2-N-[(2-methyl-1H-indol-3-yl)methyl]benzene-1,2-diamine
CID 115124521
3-methyl-1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine
CID 115200369
2-methyl-4-(2-methyl-1H-indol-3-yl)butan-2-ol
CID 82471951
2-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanethiol
CID 115224373
2-(2-methyl-1H-indol-3-yl)-N,N-bis(phosphanyl)ethanamine
CID 144501748
3-amino-1-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
CID 115193047
4-amino-4-methyl-N-(2-methyl-1H-indol-3-yl)pentanamide
CID 115157504
3-ethyl-2-methyl-1H-indole;propane
CID 156727003
bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945
4-[(2-methyl-1H-indol-3-yl)methyl-propan-2-ylamino]butanoic acid
CID 65058874
4-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]butan-1-ol
CID 115217891

Frequently Asked Questions

What is the IUPAC name of 1-N,3-dimethyl-1-N-[(2-methyl-1H-indol-3-yl)methyl]butane-1,3-diamine?
The IUPAC name of 1-N,3-dimethyl-1-N-[(2-methyl-1H-indol-3-yl)methyl]butane-1,3-diamine (CID 115200722) is 1-N,3-dimethyl-1-N-[(2-methyl-1H-indol-3-yl)methyl]butane-1,3-diamine.
What is the SMILES notation for 1-N,3-dimethyl-1-N-[(2-methyl-1H-indol-3-yl)methyl]butane-1,3-diamine?
The canonical SMILES for 1-N,3-dimethyl-1-N-[(2-methyl-1H-indol-3-yl)methyl]butane-1,3-diamine is Cc1[nH]c2ccccc2c1CN(C)CCC(C)(C)N.
What is the InChIKey of 1-N,3-dimethyl-1-N-[(2-methyl-1H-indol-3-yl)methyl]butane-1,3-diamine?
The InChIKey is CJFSYXMDLXUQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-12-14(11-19(4)10-9-16(2,3)17)13-7-5-6-8-15(13)18-12/h5-8,18H,9-11,17H2,1-4H3.
What are the key properties of 1-N,3-dimethyl-1-N-[(2-methyl-1H-indol-3-yl)methyl]butane-1,3-diamine?
1-N,3-dimethyl-1-N-[(2-methyl-1H-indol-3-yl)methyl]butane-1,3-diamine has a molecular weight of 259.40 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-dimethyl-1-N-[(2-methyl-1H-indol-3-yl)methyl]butane-1,3-diamine is sourced from PubChem (CID 115200722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).