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

C14H22N2 — CID 62070504

IUPACN-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1ccc2c(c1)CCN2C
InChIInChI=1S/C14H22N2/c1-4-11(2)15-10-12-5-6-14-13(9-12)7-8-16(14)3/h5-6,9,11,15H,4,7-8,10H2,1-3H3
InChIKeyXQFZVASFJHNFAU-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.57
Rot. Bonds4

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

N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine (PubChem CID 62070504) 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-2-amine.

Molecular Properties

Compound NameN-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine
PubChem CID62070504
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1ccc2c(c1)CCN2C
InChIInChI=1S/C14H22N2/c1-4-11(2)15-10-12-5-6-14-13(9-12)7-8-16(14)3/h5-6,9,11,15H,4,7-8,10H2,1-3H3
InChIKeyXQFZVASFJHNFAU-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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'}

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Related Compounds

4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine
CID 62096505
5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]hexan-2-amine
CID 62096489
(1R)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-phenylethanamine
CID 81350665
2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propanoic acid
CID 62096350
1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propyl]pyrrolidin-2-one
CID 62096164
1-methoxy-3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine
CID 65047506
(1S)-1-(4-fluorophenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine
CID 81351126
6-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]heptan-2-amine
CID 63421316
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 62095975
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
2-ethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butanamide
CID 110481403

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine?
The IUPAC name of N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine (CID 62070504) is N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine.
What is the SMILES notation for N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine?
The canonical SMILES for N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine is CCC(C)NCc1ccc2c(c1)CCN2C.
What is the InChIKey of N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine?
The InChIKey is XQFZVASFJHNFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-4-11(2)15-10-12-5-6-14-13(9-12)7-8-16(14)3/h5-6,9,11,15H,4,7-8,10H2,1-3H3.
What are the key properties of N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine?
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine has a molecular weight of 218.34 g/mol, XLogP of 2.57, 4 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-2-amine is sourced from PubChem (CID 62070504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).