3-N-(1H-indol-5-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine

C15H23N3 — CID 102910480

IUPAC3-N-(1H-indol-5-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCC(CCN(C)C)NCc1ccc2[nH]ccc2c1
InChIInChI=1S/C15H23N3/c1-12(7-9-18(2)3)17-11-13-4-5-15-14(10-13)6-8-16-15/h4-6,8,10,12,16-17H,7,9,11H2,1-3H3
InChIKeyRLXDYAIAUFTANY-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.60
Rot. Bonds6

About 3-N-(1H-indol-5-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine

3-N-(1H-indol-5-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 102910480) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-N-(1H-indol-5-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(1H-indol-5-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID102910480
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name3-N-(1H-indol-5-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCC(CCN(C)C)NCc1ccc2[nH]ccc2c1
InChIInChI=1S/C15H23N3/c1-12(7-9-18(2)3)17-11-13-4-5-15-14(10-13)6-8-16-15/h4-6,8,10,12,16-17H,7,9,11H2,1-3H3
InChIKeyRLXDYAIAUFTANY-UHFFFAOYSA-N
XLogP2.60
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indol-5-ylmethyl)-1-phenylpropan-2-amine
CID 102910859
3-N-[(4-ethylphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 54963961
1-(2,5-dimethylphenyl)-N-(1H-indol-5-ylmethyl)ethanamine
CID 102909779
3-N-[(4-bromo-3-chlorophenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 103581647
N-[1-(dimethylamino)-6-(1H-indol-5-yl)hexan-3-yl]acetamide
CID 145399732
1-N,1-N-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)butane-1,3-diamine
CID 62339423
1-N,1-N-dimethyl-3-N-[(4-methylsulfanylphenyl)methyl]butane-1,3-diamine
CID 54963566
N-(1H-indol-5-ylmethyl)-1-phenylpropan-1-amine
CID 102910676
4-[1-(1H-indol-5-ylmethylamino)ethyl]benzonitrile
CID 102909627
1-(3-fluorophenyl)-N-(1H-indol-5-ylmethyl)ethanamine
CID 102909354
N-(1H-indol-5-ylmethyl)-2-methylsulfanylpropan-1-amine
CID 102911932
5-(4-methylpentyl)-1H-indole
CID 143660626

Frequently Asked Questions

What is the IUPAC name of 3-N-(1H-indol-5-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-(1H-indol-5-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine (CID 102910480) is 3-N-(1H-indol-5-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(1H-indol-5-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-(1H-indol-5-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine is CC(CCN(C)C)NCc1ccc2[nH]ccc2c1.
What is the InChIKey of 3-N-(1H-indol-5-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is RLXDYAIAUFTANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-12(7-9-18(2)3)17-11-13-4-5-15-14(10-13)6-8-16-15/h4-6,8,10,12,16-17H,7,9,11H2,1-3H3.
What are the key properties of 3-N-(1H-indol-5-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine?
3-N-(1H-indol-5-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 245.37 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1H-indol-5-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 102910480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).