N-(2,3-dihydro-1H-indol-5-ylmethyl)-7-methyloctan-1-amine

C18H30N2 — CID 107815618

IUPACN-(2,3-dihydro-1H-indol-5-ylmethyl)-7-methyloctan-1-amine
SMILESCC(C)CCCCCCNCc1ccc2c(c1)CCN2
InChIInChI=1S/C18H30N2/c1-15(2)7-5-3-4-6-11-19-14-16-8-9-18-17(13-16)10-12-20-18/h8-9,13,15,19-20H,3-7,10-12,14H2,1-2H3
InChIKeyWSCGTEXBNXNOSQ-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.35
Rot. Bonds9

About N-(2,3-dihydro-1H-indol-5-ylmethyl)-7-methyloctan-1-amine

N-(2,3-dihydro-1H-indol-5-ylmethyl)-7-methyloctan-1-amine (PubChem CID 107815618) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-5-ylmethyl)-7-methyloctan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-5-ylmethyl)-7-methyloctan-1-amine
PubChem CID107815618
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-(2,3-dihydro-1H-indol-5-ylmethyl)-7-methyloctan-1-amine
SMILESCC(C)CCCCCCNCc1ccc2c(c1)CCN2
InChIInChI=1S/C18H30N2/c1-15(2)7-5-3-4-6-11-19-14-16-8-9-18-17(13-16)10-12-20-18/h8-9,13,15,19-20H,3-7,10-12,14H2,1-2H3
InChIKeyWSCGTEXBNXNOSQ-UHFFFAOYSA-N
XLogP4.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1H-indol-5-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 83144156
3-(2,3-dihydro-1H-indol-5-yl)-N-methylpropan-1-amine
CID 115105456
N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)propan-2-amine
CID 61151541
N-[(4-cyclopropylphenyl)methyl]-7-methyloctan-1-amine
CID 79978978
3-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]propan-1-ol
CID 82256860
N-[(3,5-dimethylphenyl)methyl]-7-methyloctan-1-amine
CID 60689891
2-fluoro-4-[(5-methylhexylamino)methyl]aniline
CID 113287600
N-(2,3-dihydro-1H-indol-6-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102913648
N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-(2-methylpropyl)cyclopropanamine
CID 55001070
5-methyl-N-[(4-methylsulfanylphenyl)methyl]hexan-1-amine
CID 113287353
N-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]-2,4,4-trimethylpentan-2-amine
CID 82257057
4-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]butanoic acid
CID 82256904

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-5-ylmethyl)-7-methyloctan-1-amine?
The IUPAC name of N-(2,3-dihydro-1H-indol-5-ylmethyl)-7-methyloctan-1-amine (CID 107815618) is N-(2,3-dihydro-1H-indol-5-ylmethyl)-7-methyloctan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-5-ylmethyl)-7-methyloctan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-5-ylmethyl)-7-methyloctan-1-amine is CC(C)CCCCCCNCc1ccc2c(c1)CCN2.
What is the InChIKey of N-(2,3-dihydro-1H-indol-5-ylmethyl)-7-methyloctan-1-amine?
The InChIKey is WSCGTEXBNXNOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-15(2)7-5-3-4-6-11-19-14-16-8-9-18-17(13-16)10-12-20-18/h8-9,13,15,19-20H,3-7,10-12,14H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-indol-5-ylmethyl)-7-methyloctan-1-amine?
N-(2,3-dihydro-1H-indol-5-ylmethyl)-7-methyloctan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 4.35, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-5-ylmethyl)-7-methyloctan-1-amine is sourced from PubChem (CID 107815618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).