N-(1H-indol-6-ylmethyl)butan-1-amine

C13H18N2 — CID 63749151

IUPACN-(1H-indol-6-ylmethyl)butan-1-amine
SMILESCCCCNCc1ccc2cc[nH]c2c1
InChIInChI=1S/C13H18N2/c1-2-3-7-14-10-11-4-5-12-6-8-15-13(12)9-11/h4-6,8-9,14-15H,2-3,7,10H2,1H3
InChIKeyYYDJDQVVCRYKDF-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.06
Rot. Bonds5

About N-(1H-indol-6-ylmethyl)butan-1-amine

N-(1H-indol-6-ylmethyl)butan-1-amine (PubChem CID 63749151) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-(1H-indol-6-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-(1H-indol-6-ylmethyl)butan-1-amine
PubChem CID63749151
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-(1H-indol-6-ylmethyl)butan-1-amine
SMILESCCCCNCc1ccc2cc[nH]c2c1
InChIInChI=1S/C13H18N2/c1-2-3-7-14-10-11-4-5-12-6-8-15-13(12)9-11/h4-6,8-9,14-15H,2-3,7,10H2,1H3
InChIKeyYYDJDQVVCRYKDF-UHFFFAOYSA-N
XLogP3.06
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-ethenoxy-N-(1H-indol-6-ylmethyl)propan-1-amine
CID 102909372
N-(1H-indol-6-ylmethyl)-2-(4-methylcyclohexyl)ethanamine
CID 102911023
N-(1H-indol-6-ylmethyl)-2-(4-methoxyphenyl)ethanamine
CID 53274315
N-(1H-indol-6-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 102909156
N-(1H-indazol-6-ylmethyl)butan-1-amine
CID 62919560
N-(1H-indol-6-ylmethyl)-1-(3-methylcyclopentyl)methanamine
CID 107411513
N-(1H-indol-6-ylmethyl)but-2-yn-1-amine
CID 102911908
N-(1H-indol-6-ylmethyl)-2-phenylsulfanylethanamine
CID 102910230
N-[2-(1H-indol-6-ylmethylamino)ethyl]-2-methylpropanamide
CID 102909292
1-(4-ethylcyclohexyl)-N-(1H-indol-6-ylmethyl)methanamine
CID 102910232
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-6-yl)methanamine
CID 102911465
1-(1H-indol-6-yl)-N-methoxymethanamine
CID 82599129

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-6-ylmethyl)butan-1-amine?
The IUPAC name of N-(1H-indol-6-ylmethyl)butan-1-amine (CID 63749151) is N-(1H-indol-6-ylmethyl)butan-1-amine.
What is the SMILES notation for N-(1H-indol-6-ylmethyl)butan-1-amine?
The canonical SMILES for N-(1H-indol-6-ylmethyl)butan-1-amine is CCCCNCc1ccc2cc[nH]c2c1.
What is the InChIKey of N-(1H-indol-6-ylmethyl)butan-1-amine?
The InChIKey is YYDJDQVVCRYKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-3-7-14-10-11-4-5-12-6-8-15-13(12)9-11/h4-6,8-9,14-15H,2-3,7,10H2,1H3.
What are the key properties of N-(1H-indol-6-ylmethyl)butan-1-amine?
N-(1H-indol-6-ylmethyl)butan-1-amine has a molecular weight of 202.30 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-6-ylmethyl)butan-1-amine is sourced from PubChem (CID 63749151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).