N-[[6-(azidomethyl)-1H-indol-2-yl]methyl]-1-cyclobutylmethanamine

C15H19N5 — CID 176815676

IUPACN-[[6-(azidomethyl)-1H-indol-2-yl]methyl]-1-cyclobutylmethanamine
SMILES[N-]=[N+]=NCc1ccc2cc(CNCC3CCC3)[nH]c2c1
InChIInChI=1S/C15H19N5/c16-20-18-9-12-4-5-13-7-14(19-15(13)6-12)10-17-8-11-2-1-3-11/h4-7,11,17,19H,1-3,8-10H2
InChIKeyHRBRMBWRKOXATI-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.87
Rot. Bonds6

About N-[[6-(azidomethyl)-1H-indol-2-yl]methyl]-1-cyclobutylmethanamine

N-[[6-(azidomethyl)-1H-indol-2-yl]methyl]-1-cyclobutylmethanamine (PubChem CID 176815676) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[[6-(azidomethyl)-1H-indol-2-yl]methyl]-1-cyclobutylmethanamine.

Molecular Properties

Compound NameN-[[6-(azidomethyl)-1H-indol-2-yl]methyl]-1-cyclobutylmethanamine
PubChem CID176815676
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC NameN-[[6-(azidomethyl)-1H-indol-2-yl]methyl]-1-cyclobutylmethanamine
SMILES[N-]=[N+]=NCc1ccc2cc(CNCC3CCC3)[nH]c2c1
InChIInChI=1S/C15H19N5/c16-20-18-9-12-4-5-13-7-14(19-15(13)6-12)10-17-8-11-2-1-3-11/h4-7,11,17,19H,1-3,8-10H2
InChIKeyHRBRMBWRKOXATI-UHFFFAOYSA-N
XLogP3.87
TPSA76.58 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-cyclobutyl-N-[[6-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]-1H-indol-2-yl]methyl]methanamine;hydrochloride
CID 175791496
1-cyclobutyl-N-[[6-[(4-imidazo[5,1-b][1,3]thiazol-2-yltriazol-1-yl)methyl]-1H-indol-2-yl]methyl]methanamine
CID 169095796
2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(3-hydroxypropylamino)-2,7-naphthyridin-1-one
CID 171801686
2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(4-methoxypiperidin-1-yl)-2,7-naphthyridin-1-one
CID 171801739
2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(2-oxaspiro[3.3]heptan-6-yloxy)-2,7-naphthyridin-1-one
CID 171801702
2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(3,6-dihydro-2H-pyran-4-yl)-2,7-naphthyridin-1-one
CID 171801821
1-cyclobutyl-N-[(4-methylphenyl)methyl]methanamine
CID 43298526
1-(cyclobutylmethyl)-2-(1H-indol-2-ylmethyl)guanidine
CID 111087928
N-[(6-chloro-1H-indol-2-yl)methyl]ethanamine
CID 117180309
4-[(cyclobutylmethylamino)methyl]benzene-1,2-diol
CID 43298488
3-[(1H-indol-5-ylmethylamino)methyl]cyclohexan-1-ol
CID 106123504
1-(4-ethylcyclohexyl)-N-(1H-indol-6-ylmethyl)methanamine
CID 102910232

Frequently Asked Questions

What is the IUPAC name of N-[[6-(azidomethyl)-1H-indol-2-yl]methyl]-1-cyclobutylmethanamine?
The IUPAC name of N-[[6-(azidomethyl)-1H-indol-2-yl]methyl]-1-cyclobutylmethanamine (CID 176815676) is N-[[6-(azidomethyl)-1H-indol-2-yl]methyl]-1-cyclobutylmethanamine.
What is the SMILES notation for N-[[6-(azidomethyl)-1H-indol-2-yl]methyl]-1-cyclobutylmethanamine?
The canonical SMILES for N-[[6-(azidomethyl)-1H-indol-2-yl]methyl]-1-cyclobutylmethanamine is [N-]=[N+]=NCc1ccc2cc(CNCC3CCC3)[nH]c2c1.
What is the InChIKey of N-[[6-(azidomethyl)-1H-indol-2-yl]methyl]-1-cyclobutylmethanamine?
The InChIKey is HRBRMBWRKOXATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c16-20-18-9-12-4-5-13-7-14(19-15(13)6-12)10-17-8-11-2-1-3-11/h4-7,11,17,19H,1-3,8-10H2.
What are the key properties of N-[[6-(azidomethyl)-1H-indol-2-yl]methyl]-1-cyclobutylmethanamine?
N-[[6-(azidomethyl)-1H-indol-2-yl]methyl]-1-cyclobutylmethanamine has a molecular weight of 269.35 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(azidomethyl)-1H-indol-2-yl]methyl]-1-cyclobutylmethanamine is sourced from PubChem (CID 176815676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).