N-[[1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine

C18H28N2 — CID 62512550

IUPACN-[[1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCN(c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C18H28N2/c1-14(2)11-19-12-15-8-9-20(13-15)18-7-6-16-4-3-5-17(16)10-18/h6-7,10,14-15,19H,3-5,8-9,11-13H2,1-2H3
InChIKeyBMXGXBYOWXZIRT-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.25
Rot. Bonds5

About N-[[1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine

N-[[1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62512550) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID62512550
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[[1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCN(c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C18H28N2/c1-14(2)11-19-12-15-8-9-20(13-15)18-7-6-16-4-3-5-17(16)10-18/h6-7,10,14-15,19H,3-5,8-9,11-13H2,1-2H3
InChIKeyBMXGXBYOWXZIRT-UHFFFAOYSA-N
XLogP3.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-yl]methanol
CID 64863294
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62513713
N,N,2-trimethyl-5-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]aniline
CID 115378465
N-[[1-(4-methoxy-3-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62512616
ethyl 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-3-yl]acetate
CID 83982086
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-methylbutan-1-amine
CID 83467641
N-[[1-(5-bromo-2,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 102854005
N-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792830
N-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]-3-methylbutanamide
CID 110640720
N-[(1-naphthalen-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 62513771
N-[[1-(4-bromo-3-fluorophenyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 65436566
N-[[1-(6-bromonaphthalen-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 81266805

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine (CID 62512550) is N-[[1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCN(c2ccc3c(c2)CCC3)C1.
What is the InChIKey of N-[[1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is BMXGXBYOWXZIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-14(2)11-19-12-15-8-9-20(13-15)18-7-6-16-4-3-5-17(16)10-18/h6-7,10,14-15,19H,3-5,8-9,11-13H2,1-2H3.
What are the key properties of N-[[1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 272.44 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62512550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).