2-methyl-N-[[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]methyl]propan-1-amine

C16H33N3 — CID 55081254

IUPAC2-methyl-N-[[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCN(CCN2CCCCC2)C1
InChIInChI=1S/C16H33N3/c1-15(2)12-17-13-16-6-9-19(14-16)11-10-18-7-4-3-5-8-18/h15-17H,3-14H2,1-2H3
InChIKeyGRHIYIMYJDMPIQ-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.04
Rot. Bonds7

About 2-methyl-N-[[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]methyl]propan-1-amine

2-methyl-N-[[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]methyl]propan-1-amine (PubChem CID 55081254) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-methyl-N-[[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]methyl]propan-1-amine
PubChem CID55081254
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name2-methyl-N-[[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCN(CCN2CCCCC2)C1
InChIInChI=1S/C16H33N3/c1-15(2)12-17-13-16-6-9-19(14-16)11-10-18-7-4-3-5-8-18/h15-17H,3-14H2,1-2H3
InChIKeyGRHIYIMYJDMPIQ-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-cyclopentyloxyethyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 63829128
2-methyl-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]propan-1-amine
CID 62591662
1-[[3-[(2-methylpropylamino)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol
CID 65213827
N-[[1-(3-ethoxypropyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 65175422
N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62593255
2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]piperidin-4-yl]methyl]propan-1-amine
CID 62591338
N,N-dimethyl-3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide
CID 63849354
N-[[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 106725817
methyl 4-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]butanoate
CID 63849711
N-[(1-hept-6-enylpiperidin-3-yl)methyl]-2-methylpropan-1-amine
CID 107010261
6-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]hexan-1-ol
CID 107707143
N,N,2-trimethyl-1-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]propan-2-amine
CID 55081442

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]methyl]propan-1-amine (CID 55081254) is 2-methyl-N-[[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]methyl]propan-1-amine is CC(C)CNCC1CCN(CCN2CCCCC2)C1.
What is the InChIKey of 2-methyl-N-[[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]methyl]propan-1-amine?
The InChIKey is GRHIYIMYJDMPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-15(2)12-17-13-16-6-9-19(14-16)11-10-18-7-4-3-5-8-18/h15-17H,3-14H2,1-2H3.
What are the key properties of 2-methyl-N-[[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]methyl]propan-1-amine?
2-methyl-N-[[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]methyl]propan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 55081254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).