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

C13H27N3 — CID 62976183

IUPAC1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
SMILESCC(C)N1CCC(CNC2CCN(C)C2)C1
InChIInChI=1S/C13H27N3/c1-11(2)16-7-4-12(9-16)8-14-13-5-6-15(3)10-13/h11-14H,4-10H2,1-3H3
InChIKeyPALRHFXWMFVGPE-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.01
Rot. Bonds4

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

1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine (PubChem CID 62976183) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
PubChem CID62976183
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
SMILESCC(C)N1CCC(CNC2CCN(C)C2)C1
InChIInChI=1S/C13H27N3/c1-11(2)16-7-4-12(9-16)8-14-13-5-6-15(3)10-13/h11-14H,4-10H2,1-3H3
InChIKeyPALRHFXWMFVGPE-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylazepan-4-amine
CID 65073948
1-cyclopropyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
CID 62980807
1-butan-2-yl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-amine
CID 71179367
3-ethyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclopentan-1-amine
CID 64501124
N-[[1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513787
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 61207184
N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopropanamine
CID 62582229
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]spiro[4.5]decan-8-amine
CID 114817523
4-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexan-1-amine
CID 61209081
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4-propylcycloheptan-1-amine
CID 65091119
1-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-3-amine
CID 62657172
2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexan-1-amine
CID 61207348

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine (CID 62976183) is 1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine is CC(C)N1CCC(CNC2CCN(C)C2)C1.
What is the InChIKey of 1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine?
The InChIKey is PALRHFXWMFVGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-11(2)16-7-4-12(9-16)8-14-13-5-6-15(3)10-13/h11-14H,4-10H2,1-3H3.
What are the key properties of 1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine?
1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine has a molecular weight of 225.38 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 62976183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).