N-[6-(aminomethyl)-1-methylindol-2-yl]sulfanylbutan-1-amine

C14H21N3S — CID 143244178

IUPACN-[6-(aminomethyl)-1-methylindol-2-yl]sulfanylbutan-1-amine
SMILESCCCCNSc1cc2ccc(CN)cc2n1C
InChIInChI=1S/C14H21N3S/c1-3-4-7-16-18-14-9-12-6-5-11(10-15)8-13(12)17(14)2/h5-6,8-9,16H,3-4,7,10,15H2,1-2H3
InChIKeyMQDPMJJDVPXJIH-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.03
Rot. Bonds6

About N-[6-(aminomethyl)-1-methylindol-2-yl]sulfanylbutan-1-amine

N-[6-(aminomethyl)-1-methylindol-2-yl]sulfanylbutan-1-amine (PubChem CID 143244178) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-[6-(aminomethyl)-1-methylindol-2-yl]sulfanylbutan-1-amine.

Molecular Properties

Compound NameN-[6-(aminomethyl)-1-methylindol-2-yl]sulfanylbutan-1-amine
PubChem CID143244178
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC NameN-[6-(aminomethyl)-1-methylindol-2-yl]sulfanylbutan-1-amine
SMILESCCCCNSc1cc2ccc(CN)cc2n1C
InChIInChI=1S/C14H21N3S/c1-3-4-7-16-18-14-9-12-6-5-11(10-15)8-13(12)17(14)2/h5-6,8-9,16H,3-4,7,10,15H2,1-2H3
InChIKeyMQDPMJJDVPXJIH-UHFFFAOYSA-N
XLogP3.03
TPSA42.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-propylisoindol-5-yl)methanamine
CID 82504499
2-bromo-6-ethyl-1-methylindole
CID 84700583
2,6-diethyl-1-methylindole
CID 118283612
6-(aminomethyl)-1-methylbenzimidazol-2-amine
CID 84767207
[6-(aminomethyl)naphthalen-2-yl]methanamine
CID 67748708
[2-[(2-chlorophenoxy)methyl]-1-methylindol-6-yl]methanamine
CID 117179967
[2-(ethylsulfanylmethyl)-1-methylindol-5-yl]methanamine
CID 117176571
1-[4-(aminomethyl)phenyl]-N-octylmethanesulfonamide
CID 115567343
3-[6-(aminomethyl)indol-1-yl]propan-1-ol
CID 102916381
[6-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol
CID 104713063
2-[7-(aminomethyl)-3-oxo-1,4-benzoxazin-4-yl]-N-butylacetamide
CID 82338764
(2-heptan-4-yl-1-methylbenzimidazol-5-yl)methanamine
CID 82987206

Frequently Asked Questions

What is the IUPAC name of N-[6-(aminomethyl)-1-methylindol-2-yl]sulfanylbutan-1-amine?
The IUPAC name of N-[6-(aminomethyl)-1-methylindol-2-yl]sulfanylbutan-1-amine (CID 143244178) is N-[6-(aminomethyl)-1-methylindol-2-yl]sulfanylbutan-1-amine.
What is the SMILES notation for N-[6-(aminomethyl)-1-methylindol-2-yl]sulfanylbutan-1-amine?
The canonical SMILES for N-[6-(aminomethyl)-1-methylindol-2-yl]sulfanylbutan-1-amine is CCCCNSc1cc2ccc(CN)cc2n1C.
What is the InChIKey of N-[6-(aminomethyl)-1-methylindol-2-yl]sulfanylbutan-1-amine?
The InChIKey is MQDPMJJDVPXJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-3-4-7-16-18-14-9-12-6-5-11(10-15)8-13(12)17(14)2/h5-6,8-9,16H,3-4,7,10,15H2,1-2H3.
What are the key properties of N-[6-(aminomethyl)-1-methylindol-2-yl]sulfanylbutan-1-amine?
N-[6-(aminomethyl)-1-methylindol-2-yl]sulfanylbutan-1-amine has a molecular weight of 263.41 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(aminomethyl)-1-methylindol-2-yl]sulfanylbutan-1-amine is sourced from PubChem (CID 143244178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).