N-[(1,3-dimethylindol-2-yl)methyl]-4-methylpentan-1-amine

C17H26N2 — CID 107235433

IUPACN-[(1,3-dimethylindol-2-yl)methyl]-4-methylpentan-1-amine
SMILESCc1c(CNCCCC(C)C)n(C)c2ccccc12
InChIInChI=1S/C17H26N2/c1-13(2)8-7-11-18-12-17-14(3)15-9-5-6-10-16(15)19(17)4/h5-6,9-10,13,18H,7-8,11-12H2,1-4H3
InChIKeyIUTBMFBLTYFYHG-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.01
Rot. Bonds6

About N-[(1,3-dimethylindol-2-yl)methyl]-4-methylpentan-1-amine

N-[(1,3-dimethylindol-2-yl)methyl]-4-methylpentan-1-amine (PubChem CID 107235433) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-[(1,3-dimethylindol-2-yl)methyl]-4-methylpentan-1-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylindol-2-yl)methyl]-4-methylpentan-1-amine
PubChem CID107235433
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-[(1,3-dimethylindol-2-yl)methyl]-4-methylpentan-1-amine
SMILESCc1c(CNCCCC(C)C)n(C)c2ccccc12
InChIInChI=1S/C17H26N2/c1-13(2)8-7-11-18-12-17-14(3)15-9-5-6-10-16(15)19(17)4/h5-6,9-10,13,18H,7-8,11-12H2,1-4H3
InChIKeyIUTBMFBLTYFYHG-UHFFFAOYSA-N
XLogP4.01
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Indole
CID 798
Skatole
CID 6736
N,N-Dimethyltryptamine
CID 6089
Tryptamine
CID 1150
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
Tetrahydro-beta-carboline
CID 107838
Iprindole
CID 21722
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367
Indole-3-acetonitrile
CID 351795

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylindol-2-yl)methyl]-4-methylpentan-1-amine?
The IUPAC name of N-[(1,3-dimethylindol-2-yl)methyl]-4-methylpentan-1-amine (CID 107235433) is N-[(1,3-dimethylindol-2-yl)methyl]-4-methylpentan-1-amine.
What is the SMILES notation for N-[(1,3-dimethylindol-2-yl)methyl]-4-methylpentan-1-amine?
The canonical SMILES for N-[(1,3-dimethylindol-2-yl)methyl]-4-methylpentan-1-amine is Cc1c(CNCCCC(C)C)n(C)c2ccccc12.
What is the InChIKey of N-[(1,3-dimethylindol-2-yl)methyl]-4-methylpentan-1-amine?
The InChIKey is IUTBMFBLTYFYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-13(2)8-7-11-18-12-17-14(3)15-9-5-6-10-16(15)19(17)4/h5-6,9-10,13,18H,7-8,11-12H2,1-4H3.
What are the key properties of N-[(1,3-dimethylindol-2-yl)methyl]-4-methylpentan-1-amine?
N-[(1,3-dimethylindol-2-yl)methyl]-4-methylpentan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylindol-2-yl)methyl]-4-methylpentan-1-amine is sourced from PubChem (CID 107235433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).