N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine

C14H22N2 — CID 62096654

IUPACN-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine
SMILESCCCCNCc1ccc2c(c1)CCN2C
InChIInChI=1S/C14H22N2/c1-3-4-8-15-11-12-5-6-14-13(10-12)7-9-16(14)2/h5-6,10,15H,3-4,7-9,11H2,1-2H3
InChIKeyANOLCPXZIXFSKI-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.57
Rot. Bonds5

About N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine

N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine (PubChem CID 62096654) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine
PubChem CID62096654
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine
SMILESCCCCNCc1ccc2c(c1)CCN2C
InChIInChI=1S/C14H22N2/c1-3-4-8-15-11-12-5-6-14-13(10-12)7-9-16(14)2/h5-6,10,15H,3-4,7-9,11H2,1-2H3
InChIKeyANOLCPXZIXFSKI-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 104922982
3-(cyclopropylmethoxy)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]propan-1-amine
CID 62097378
N'-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]butane-1,4-diamine
CID 62094966
1-methyl-5-propyl-2,3-dihydroindole
CID 89046240
N-ethyl-2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]ethanesulfonamide
CID 103838340
1-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]pentan-2-ol
CID 115756799
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine
CID 62070317
N-[(1-ethylcyclopropyl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
CID 103838456
2-N,2-N-dimethyl-1-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]propane-1,2-diamine
CID 55035111
3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904073
1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(3-methylphenyl)methyl]methanamine
CID 62094945
N-[(2-chlorophenyl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
CID 62097009

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine?
The IUPAC name of N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine (CID 62096654) is N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine.
What is the SMILES notation for N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine?
The canonical SMILES for N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine is CCCCNCc1ccc2c(c1)CCN2C.
What is the InChIKey of N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine?
The InChIKey is ANOLCPXZIXFSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-4-8-15-11-12-5-6-14-13(10-12)7-9-16(14)2/h5-6,10,15H,3-4,7-9,11H2,1-2H3.
What are the key properties of N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine?
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine has a molecular weight of 218.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine is sourced from PubChem (CID 62096654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).