N,N'-dimethyl-1-(1-methylindol-3-yl)butane-1,4-diamine

C15H23N3 — CID 116949455

IUPACN,N'-dimethyl-1-(1-methylindol-3-yl)butane-1,4-diamine
SMILESCNCCCC(NC)c1cn(C)c2ccccc12
InChIInChI=1S/C15H23N3/c1-16-10-6-8-14(17-2)13-11-18(3)15-9-5-4-7-12(13)15/h4-5,7,9,11,14,16-17H,6,8,10H2,1-3H3
InChIKeyRTFLVNSVNMRULQ-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.44
Rot. Bonds6

About N,N'-dimethyl-1-(1-methylindol-3-yl)butane-1,4-diamine

N,N'-dimethyl-1-(1-methylindol-3-yl)butane-1,4-diamine (PubChem CID 116949455) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N,N'-dimethyl-1-(1-methylindol-3-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-1-(1-methylindol-3-yl)butane-1,4-diamine
PubChem CID116949455
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN,N'-dimethyl-1-(1-methylindol-3-yl)butane-1,4-diamine
SMILESCNCCCC(NC)c1cn(C)c2ccccc12
InChIInChI=1S/C15H23N3/c1-16-10-6-8-14(17-2)13-11-18(3)15-9-5-4-7-12(13)15/h4-5,7,9,11,14,16-17H,6,8,10H2,1-3H3
InChIKeyRTFLVNSVNMRULQ-UHFFFAOYSA-N
XLogP2.44
TPSA28.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(1-methylindol-3-yl)-2-methylsulfanylethanamine
CID 116830387
(3S)-N-methyl-3-(1-methylindol-3-yl)-3-phenylpropan-1-amine
CID 58088577
methyl 4-(methylamino)-4-(1-methylindol-3-yl)butanoate
CID 116955537
1-(1-benzofuran-3-yl)-N,N'-dimethylbutane-1,4-diamine
CID 116949513
1-methyl-3-propan-2-ylindole
CID 10942942
N'-methyl-1-(1-methylindol-3-yl)ethane-1,2-diamine
CID 116932472
3,3,3-trifluoro-N-methyl-2-(1-methylindol-3-yl)propan-1-amine
CID 83920000
N-methyl-1-(1-methylindol-3-yl)-2-pyrrolidin-2-ylethanamine
CID 116951474
1-methyl-3-[1-(1-methylindol-3-yl)butyl]indole
CID 22019303
1-(methylamino)-1-(1-methylindol-3-yl)propan-2-ol
CID 116859440
1-(4-methoxy-2,3-dimethylphenyl)-N,N'-dimethylbutane-1,4-diamine
CID 116949463
N,N'-dimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
CID 116949515

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-1-(1-methylindol-3-yl)butane-1,4-diamine?
The IUPAC name of N,N'-dimethyl-1-(1-methylindol-3-yl)butane-1,4-diamine (CID 116949455) is N,N'-dimethyl-1-(1-methylindol-3-yl)butane-1,4-diamine.
What is the SMILES notation for N,N'-dimethyl-1-(1-methylindol-3-yl)butane-1,4-diamine?
The canonical SMILES for N,N'-dimethyl-1-(1-methylindol-3-yl)butane-1,4-diamine is CNCCCC(NC)c1cn(C)c2ccccc12.
What is the InChIKey of N,N'-dimethyl-1-(1-methylindol-3-yl)butane-1,4-diamine?
The InChIKey is RTFLVNSVNMRULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-16-10-6-8-14(17-2)13-11-18(3)15-9-5-4-7-12(13)15/h4-5,7,9,11,14,16-17H,6,8,10H2,1-3H3.
What are the key properties of N,N'-dimethyl-1-(1-methylindol-3-yl)butane-1,4-diamine?
N,N'-dimethyl-1-(1-methylindol-3-yl)butane-1,4-diamine has a molecular weight of 245.37 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-1-(1-methylindol-3-yl)butane-1,4-diamine is sourced from PubChem (CID 116949455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).