N-[(1-butan-2-ylpyrrolidin-2-yl)methyl]cyclopropanamine

C12H24N2 — CID 79456261

IUPACN-[(1-butan-2-ylpyrrolidin-2-yl)methyl]cyclopropanamine
SMILESCCC(C)N1CCCC1CNC1CC1
InChIInChI=1S/C12H24N2/c1-3-10(2)14-8-4-5-12(14)9-13-11-6-7-11/h10-13H,3-9H2,1-2H3
InChIKeyCMKPGUPCULNJII-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.00
Rot. Bonds5

About N-[(1-butan-2-ylpyrrolidin-2-yl)methyl]cyclopropanamine

N-[(1-butan-2-ylpyrrolidin-2-yl)methyl]cyclopropanamine (PubChem CID 79456261) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-[(1-butan-2-ylpyrrolidin-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-butan-2-ylpyrrolidin-2-yl)methyl]cyclopropanamine
PubChem CID79456261
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-[(1-butan-2-ylpyrrolidin-2-yl)methyl]cyclopropanamine
SMILESCCC(C)N1CCCC1CNC1CC1
InChIInChI=1S/C12H24N2/c1-3-10(2)14-8-4-5-12(14)9-13-11-6-7-11/h10-13H,3-9H2,1-2H3
InChIKeyCMKPGUPCULNJII-UHFFFAOYSA-N
XLogP2.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-butan-2-ylpyrrolidin-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-butan-2-ylpyrrolidin-2-yl)methyl]cyclopropanamine (CID 79456261) is N-[(1-butan-2-ylpyrrolidin-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-butan-2-ylpyrrolidin-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-butan-2-ylpyrrolidin-2-yl)methyl]cyclopropanamine is CCC(C)N1CCCC1CNC1CC1.
What is the InChIKey of N-[(1-butan-2-ylpyrrolidin-2-yl)methyl]cyclopropanamine?
The InChIKey is CMKPGUPCULNJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-3-10(2)14-8-4-5-12(14)9-13-11-6-7-11/h10-13H,3-9H2,1-2H3.
What are the key properties of N-[(1-butan-2-ylpyrrolidin-2-yl)methyl]cyclopropanamine?
N-[(1-butan-2-ylpyrrolidin-2-yl)methyl]cyclopropanamine has a molecular weight of 196.34 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butan-2-ylpyrrolidin-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 79456261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).