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

C16H31N3 — CID 62513787

IUPACN-[[1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESCC(C)N1CCC(CN2CCC(CNC3CC3)C2)C1
InChIInChI=1S/C16H31N3/c1-13(2)19-8-6-15(12-19)11-18-7-5-14(10-18)9-17-16-3-4-16/h13-17H,3-12H2,1-2H3
InChIKeyPKLFJBURUAQYPP-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.79
Rot. Bonds6

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

N-[[1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine (PubChem CID 62513787) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[[1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
PubChem CID62513787
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC NameN-[[1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESCC(C)N1CCC(CN2CCC(CNC3CC3)C2)C1
InChIInChI=1S/C16H31N3/c1-13(2)19-8-6-15(12-19)11-18-7-5-14(10-18)9-17-16-3-4-16/h13-17H,3-12H2,1-2H3
InChIKeyPKLFJBURUAQYPP-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopropanamine
CID 62582229
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 61207184
N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 63243855
1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
CID 62976183
3-ethyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclopentan-1-amine
CID 64501124
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]spiro[4.5]decan-8-amine
CID 114817523
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4-propylcycloheptan-1-amine
CID 65091119
1-cyclopropyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
CID 62980807
N-[[1-(dicyclopropylmethyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 55081251
1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine
CID 170266000
1-methyl-4-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine
CID 170617047

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine (CID 62513787) is N-[[1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine is CC(C)N1CCC(CN2CCC(CNC3CC3)C2)C1.
What is the InChIKey of N-[[1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine?
The InChIKey is PKLFJBURUAQYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-13(2)19-8-6-15(12-19)11-18-7-5-14(10-18)9-17-16-3-4-16/h13-17H,3-12H2,1-2H3.
What are the key properties of N-[[1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine?
N-[[1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine has a molecular weight of 265.44 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62513787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).