N,N,N'-trimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine

C16H25N3 — CID 116905269

IUPACN,N,N'-trimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine
SMILESCNCCCC(c1c(C)[nH]c2ccccc12)N(C)C
InChIInChI=1S/C16H25N3/c1-12-16(13-8-5-6-9-14(13)18-12)15(19(3)4)10-7-11-17-2/h5-6,8-9,15,17-18H,7,10-11H2,1-4H3
InChIKeyGZPNFEXDMQYQJM-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.08
Rot. Bonds6

About N,N,N'-trimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine

N,N,N'-trimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine (PubChem CID 116905269) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N,N,N'-trimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine
PubChem CID116905269
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN,N,N'-trimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine
SMILESCNCCCC(c1c(C)[nH]c2ccccc12)N(C)C
InChIInChI=1S/C16H25N3/c1-12-16(13-8-5-6-9-14(13)18-12)15(19(3)4)10-7-11-17-2/h5-6,8-9,15,17-18H,7,10-11H2,1-4H3
InChIKeyGZPNFEXDMQYQJM-UHFFFAOYSA-N
XLogP3.08
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)-3-(2-methyl-1H-indol-3-yl)propan-1-ol
CID 116907669
1-N,1-N-dimethyl-1-(2-methyl-1H-indol-3-yl)propane-1,2-diamine
CID 82289370
4-(methylamino)-1-(2-methyl-1H-indol-3-yl)butan-1-one
CID 116915904
N-methyl-3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine
CID 116876967
5-(methylamino)-5-(2-methyl-1H-indol-3-yl)pentanoic acid
CID 116953123
N-ethyl-1-(2-methyl-1H-indol-3-yl)ethanamine
CID 65333195
3-(2-methyl-1H-indol-3-yl)butan-1-amine
CID 82397034
4-(2-methyl-1H-indol-3-yl)octan-2-one
CID 102114646
2-(dimethylamino)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 116914751
4-amino-4-(2-methyl-1H-indol-3-yl)butan-1-ol
CID 116861434
(1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 131198811
(1R)-4-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-amine
CID 171206865

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine?
The IUPAC name of N,N,N'-trimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine (CID 116905269) is N,N,N'-trimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine.
What is the SMILES notation for N,N,N'-trimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine?
The canonical SMILES for N,N,N'-trimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine is CNCCCC(c1c(C)[nH]c2ccccc12)N(C)C.
What is the InChIKey of N,N,N'-trimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine?
The InChIKey is GZPNFEXDMQYQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-12-16(13-8-5-6-9-14(13)18-12)15(19(3)4)10-7-11-17-2/h5-6,8-9,15,17-18H,7,10-11H2,1-4H3.
What are the key properties of N,N,N'-trimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine?
N,N,N'-trimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine has a molecular weight of 259.40 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine is sourced from PubChem (CID 116905269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).