1-N-[(5-bromo-1H-indol-3-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine

C16H24BrN3 — CID 115317116

IUPAC1-N-[(5-bromo-1H-indol-3-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine
SMILESCC(C)C(N)CCN(C)Cc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C16H24BrN3/c1-11(2)15(18)6-7-20(3)10-12-9-19-16-5-4-13(17)8-14(12)16/h4-5,8-9,11,15,19H,6-7,10,18H2,1-3H3
InChIKeyPIXBTCDABASTJQ-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.74
Rot. Bonds6

About 1-N-[(5-bromo-1H-indol-3-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine

1-N-[(5-bromo-1H-indol-3-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine (PubChem CID 115317116) has the molecular formula C16H24BrN3 and a molecular weight of 338.29 g/mol. Its IUPAC name is 1-N-[(5-bromo-1H-indol-3-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N-[(5-bromo-1H-indol-3-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine
PubChem CID115317116
Molecular FormulaC16H24BrN3
Molecular Weight338.29 g/mol
Exact Mass337.12
IUPAC Name1-N-[(5-bromo-1H-indol-3-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine
SMILESCC(C)C(N)CCN(C)Cc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C16H24BrN3/c1-11(2)15(18)6-7-20(3)10-12-9-19-16-5-4-13(17)8-14(12)16/h4-5,8-9,11,15,19H,6-7,10,18H2,1-3H3
InChIKeyPIXBTCDABASTJQ-UHFFFAOYSA-N
XLogP3.74
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-1H-indol-3-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651174
N-(3-amino-4-methylpentyl)-6-bromo-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119659480
1-N-[(2,4-dimethylphenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 115317239
3-amino-4-(5-bromo-1H-indol-3-yl)butan-2-one;ethane
CID 171065115
(1R)-1-(5-bromo-1H-indol-3-yl)ethanamine
CID 79018503
3-(5-bromo-1H-indol-3-yl)-2-methylpropanoic acid
CID 58572126
1-N-[(2,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490420
6-bromo-3-ethyl-1H-quinolin-4-one
CID 123462325
(1S)-1-(5-bromo-1H-indol-3-yl)ethanamine;hydrochloride
CID 171225851
(2S)-2-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol
CID 121221172
1-N,4-dimethyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]pentane-1,3-diamine
CID 81491313
5-bromo-3-(chloromethyl)-1H-indole
CID 66854082

Frequently Asked Questions

What is the IUPAC name of 1-N-[(5-bromo-1H-indol-3-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine?
The IUPAC name of 1-N-[(5-bromo-1H-indol-3-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine (CID 115317116) is 1-N-[(5-bromo-1H-indol-3-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine.
What is the SMILES notation for 1-N-[(5-bromo-1H-indol-3-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine?
The canonical SMILES for 1-N-[(5-bromo-1H-indol-3-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine is CC(C)C(N)CCN(C)Cc1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 1-N-[(5-bromo-1H-indol-3-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine?
The InChIKey is PIXBTCDABASTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3/c1-11(2)15(18)6-7-20(3)10-12-9-19-16-5-4-13(17)8-14(12)16/h4-5,8-9,11,15,19H,6-7,10,18H2,1-3H3.
What are the key properties of 1-N-[(5-bromo-1H-indol-3-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine?
1-N-[(5-bromo-1H-indol-3-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine has a molecular weight of 338.29 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(5-bromo-1H-indol-3-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine is sourced from PubChem (CID 115317116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).