N-[[1-(2-cyclopentyloxyethyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine

C16H32N2O — CID 63829128

IUPACN-[[1-(2-cyclopentyloxyethyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCN(CCOC2CCCC2)C1
InChIInChI=1S/C16H32N2O/c1-14(2)11-17-12-15-7-8-18(13-15)9-10-19-16-5-3-4-6-16/h14-17H,3-13H2,1-2H3
InChIKeyVMBHNUWDJMLWHI-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.51
Rot. Bonds8

About N-[[1-(2-cyclopentyloxyethyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine

N-[[1-(2-cyclopentyloxyethyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 63829128) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[[1-(2-cyclopentyloxyethyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-cyclopentyloxyethyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID63829128
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[[1-(2-cyclopentyloxyethyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCN(CCOC2CCCC2)C1
InChIInChI=1S/C16H32N2O/c1-14(2)11-17-12-15-7-8-18(13-15)9-10-19-16-5-3-4-6-16/h14-17H,3-13H2,1-2H3
InChIKeyVMBHNUWDJMLWHI-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-cyclohexyloxyethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 63827714
2-methyl-N-[[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081254
2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]piperidin-4-yl]methyl]propan-1-amine
CID 62591338
2-methyl-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]propan-1-amine
CID 62591662
N-[[1-(3-ethoxypropyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 65175422
6-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]hexan-1-ol
CID 107707143
N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62593255
2-methyl-N-[[1-(2-methylpentyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592590
N-[(1-hept-6-enylpiperidin-3-yl)methyl]-2-methylpropan-1-amine
CID 107010261
methyl 4-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]butanoate
CID 63849711
N,N,2-trimethyl-1-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]propan-2-amine
CID 55081442
2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]acetonitrile
CID 63849301

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-cyclopentyloxyethyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(2-cyclopentyloxyethyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine (CID 63829128) is N-[[1-(2-cyclopentyloxyethyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(2-cyclopentyloxyethyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(2-cyclopentyloxyethyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCN(CCOC2CCCC2)C1.
What is the InChIKey of N-[[1-(2-cyclopentyloxyethyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is VMBHNUWDJMLWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-14(2)11-17-12-15-7-8-18(13-15)9-10-19-16-5-3-4-6-16/h14-17H,3-13H2,1-2H3.
What are the key properties of N-[[1-(2-cyclopentyloxyethyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(2-cyclopentyloxyethyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-cyclopentyloxyethyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63829128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).