N-(1H-indol-7-ylmethyl)-5-methylhexan-1-amine

C16H24N2 — CID 113240682

IUPACN-(1H-indol-7-ylmethyl)-5-methylhexan-1-amine
SMILESCC(C)CCCCNCc1cccc2cc[nH]c12
InChIInChI=1S/C16H24N2/c1-13(2)6-3-4-10-17-12-15-8-5-7-14-9-11-18-16(14)15/h5,7-9,11,13,17-18H,3-4,6,10,12H2,1-2H3
InChIKeyMBLKBUMFDGJJRH-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.08
Rot. Bonds7

About N-(1H-indol-7-ylmethyl)-5-methylhexan-1-amine

N-(1H-indol-7-ylmethyl)-5-methylhexan-1-amine (PubChem CID 113240682) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-(1H-indol-7-ylmethyl)-5-methylhexan-1-amine.

Molecular Properties

Compound NameN-(1H-indol-7-ylmethyl)-5-methylhexan-1-amine
PubChem CID113240682
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-(1H-indol-7-ylmethyl)-5-methylhexan-1-amine
SMILESCC(C)CCCCNCc1cccc2cc[nH]c12
InChIInChI=1S/C16H24N2/c1-13(2)6-3-4-10-17-12-15-8-5-7-14-9-11-18-16(14)15/h5,7-9,11,13,17-18H,3-4,6,10,12H2,1-2H3
InChIKeyMBLKBUMFDGJJRH-UHFFFAOYSA-N
XLogP4.08
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.08
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

7-(4-methylpentyl)-1H-indole
CID 177208716
N-(1H-indol-7-ylmethyl)hex-5-yn-1-amine
CID 103757748
(2R)-1-(1H-indol-7-ylmethylamino)propan-2-ol
CID 96903920
7-methyl-N-(naphthalen-1-ylmethyl)octan-1-amine
CID 28528182
N-(1H-indol-7-ylmethyl)-2-methylsulfanylethanamine;hydrochloride
CID 115606849
2-butoxy-N-(1H-indol-7-ylmethyl)ethanamine
CID 113230724
N-[(2-ethylphenyl)methyl]-5-methylhexan-1-amine
CID 113287301
2-(1H-indol-7-ylmethylamino)-N-methylacetamide
CID 103640761
N-[(2-ethylphenyl)methyl]-7-methyloctan-1-amine
CID 63421085
2-(1H-indol-7-ylmethylamino)propane-1,3-diol
CID 115655450
7-methyl-N-[(2-methylphenyl)methyl]octan-1-amine
CID 28527730
N-(1H-indol-7-ylmethyl)-3,3-dimethylbutan-2-amine
CID 113234819

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-7-ylmethyl)-5-methylhexan-1-amine?
The IUPAC name of N-(1H-indol-7-ylmethyl)-5-methylhexan-1-amine (CID 113240682) is N-(1H-indol-7-ylmethyl)-5-methylhexan-1-amine.
What is the SMILES notation for N-(1H-indol-7-ylmethyl)-5-methylhexan-1-amine?
The canonical SMILES for N-(1H-indol-7-ylmethyl)-5-methylhexan-1-amine is CC(C)CCCCNCc1cccc2cc[nH]c12.
What is the InChIKey of N-(1H-indol-7-ylmethyl)-5-methylhexan-1-amine?
The InChIKey is MBLKBUMFDGJJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-13(2)6-3-4-10-17-12-15-8-5-7-14-9-11-18-16(14)15/h5,7-9,11,13,17-18H,3-4,6,10,12H2,1-2H3.
What are the key properties of N-(1H-indol-7-ylmethyl)-5-methylhexan-1-amine?
N-(1H-indol-7-ylmethyl)-5-methylhexan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-7-ylmethyl)-5-methylhexan-1-amine is sourced from PubChem (CID 113240682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).