N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine

C17H34N2 — CID 79183944

IUPACN-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
SMILESCC1CN(CC2(CNC(C)(C)C)CCCC2)CC1C
InChIInChI=1S/C17H34N2/c1-14-10-19(11-15(14)2)13-17(8-6-7-9-17)12-18-16(3,4)5/h14-15,18H,6-13H2,1-5H3
InChIKeyDBLFOCKLGYCTJI-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.52
Rot. Bonds4

About N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine

N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine (PubChem CID 79183944) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
PubChem CID79183944
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
SMILESCC1CN(CC2(CNC(C)(C)C)CCCC2)CC1C
InChIInChI=1S/C17H34N2/c1-14-10-19(11-15(14)2)13-17(8-6-7-9-17)12-18-16(3,4)5/h14-15,18H,6-13H2,1-5H3
InChIKeyDBLFOCKLGYCTJI-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine (CID 79183944) is N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine is CC1CN(CC2(CNC(C)(C)C)CCCC2)CC1C.
What is the InChIKey of N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine?
The InChIKey is DBLFOCKLGYCTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-14-10-19(11-15(14)2)13-17(8-6-7-9-17)12-18-16(3,4)5/h14-15,18H,6-13H2,1-5H3.
What are the key properties of N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine?
N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine has a molecular weight of 266.47 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79183944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).