N-[(1-propan-2-ylindol-3-yl)methyl]octan-1-amine

C20H32N2 — CID 119027489

IUPACN-[(1-propan-2-ylindol-3-yl)methyl]octan-1-amine
SMILESCCCCCCCCNCc1cn(C(C)C)c2ccccc12
InChIInChI=1S/C20H32N2/c1-4-5-6-7-8-11-14-21-15-18-16-22(17(2)3)20-13-10-9-12-19(18)20/h9-10,12-13,16-17,21H,4-8,11,14-15H2,1-3H3
InChIKeySZCFQRQDPGHWFZ-UHFFFAOYSA-N
MW300.49 g/mol
LogP5.67
Rot. Bonds10

About N-[(1-propan-2-ylindol-3-yl)methyl]octan-1-amine

N-[(1-propan-2-ylindol-3-yl)methyl]octan-1-amine (PubChem CID 119027489) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is N-[(1-propan-2-ylindol-3-yl)methyl]octan-1-amine.

Molecular Properties

Compound NameN-[(1-propan-2-ylindol-3-yl)methyl]octan-1-amine
PubChem CID119027489
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC NameN-[(1-propan-2-ylindol-3-yl)methyl]octan-1-amine
SMILESCCCCCCCCNCc1cn(C(C)C)c2ccccc12
InChIInChI=1S/C20H32N2/c1-4-5-6-7-8-11-14-21-15-18-16-22(17(2)3)20-13-10-9-12-19(18)20/h9-10,12-13,16-17,21H,4-8,11,14-15H2,1-3H3
InChIKeySZCFQRQDPGHWFZ-UHFFFAOYSA-N
XLogP5.67
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(1-propan-2-ylindol-3-yl)methyl]octan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N'-[(1-propan-2-ylindol-3-yl)methyl]propane-1,3-diamine
CID 119027565
N-[(1-propan-2-ylindol-3-yl)methyl]prop-2-en-1-amine
CID 94074093
N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]dodecan-1-amine
CID 71546960
2-(4-methoxyphenyl)-N-[(1-propan-2-ylindol-3-yl)methyl]ethanamine
CID 124798455
6-[(1-methylindol-3-yl)methylamino]hexan-1-ol
CID 107849119
N-[[2-[(heptylamino)methyl]phenyl]methyl]heptan-1-amine
CID 14801566
N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]hexan-1-amine
CID 124826287
N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]heptan-1-amine;hydrochloride
CID 17157722
2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1-propan-2-ylindol-3-yl)methyl]ethanamine
CID 125114208
N-(naphthalen-1-ylmethyl)decan-1-amine;hydrochloride
CID 118513338
N-[(1-methylindol-3-yl)methyl]-4-methylsulfanylbutan-1-amine
CID 107236224
5-[3-(propylaminomethyl)indol-1-yl]pentan-1-ol
CID 66408211

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylindol-3-yl)methyl]octan-1-amine?
The IUPAC name of N-[(1-propan-2-ylindol-3-yl)methyl]octan-1-amine (CID 119027489) is N-[(1-propan-2-ylindol-3-yl)methyl]octan-1-amine.
What is the SMILES notation for N-[(1-propan-2-ylindol-3-yl)methyl]octan-1-amine?
The canonical SMILES for N-[(1-propan-2-ylindol-3-yl)methyl]octan-1-amine is CCCCCCCCNCc1cn(C(C)C)c2ccccc12.
What is the InChIKey of N-[(1-propan-2-ylindol-3-yl)methyl]octan-1-amine?
The InChIKey is SZCFQRQDPGHWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2/c1-4-5-6-7-8-11-14-21-15-18-16-22(17(2)3)20-13-10-9-12-19(18)20/h9-10,12-13,16-17,21H,4-8,11,14-15H2,1-3H3.
What are the key properties of N-[(1-propan-2-ylindol-3-yl)methyl]octan-1-amine?
N-[(1-propan-2-ylindol-3-yl)methyl]octan-1-amine has a molecular weight of 300.49 g/mol, XLogP of 5.67, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylindol-3-yl)methyl]octan-1-amine is sourced from PubChem (CID 119027489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).