N-(2-methylpropyl)-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine

C15H30N2 — CID 55166322

IUPACN-(2-methylpropyl)-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine
SMILESCCCC1(CN(CC(C)C)C2CC2)CCNC1
InChIInChI=1S/C15H30N2/c1-4-7-15(8-9-16-11-15)12-17(10-13(2)3)14-5-6-14/h13-14,16H,4-12H2,1-3H3
InChIKeyKCPBBDUITQWSEC-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.89
Rot. Bonds7

About N-(2-methylpropyl)-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine

N-(2-methylpropyl)-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine (PubChem CID 55166322) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine
PubChem CID55166322
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-(2-methylpropyl)-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine
SMILESCCCC1(CN(CC(C)C)C2CC2)CCNC1
InChIInChI=1S/C15H30N2/c1-4-7-15(8-9-16-11-15)12-17(10-13(2)3)14-5-6-14/h13-14,16H,4-12H2,1-3H3
InChIKeyKCPBBDUITQWSEC-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-(2-methylpropyl)-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine (CID 55166322) is N-(2-methylpropyl)-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-(2-methylpropyl)-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-(2-methylpropyl)-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine is CCCC1(CN(CC(C)C)C2CC2)CCNC1.
What is the InChIKey of N-(2-methylpropyl)-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine?
The InChIKey is KCPBBDUITQWSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-7-15(8-9-16-11-15)12-17(10-13(2)3)14-5-6-14/h13-14,16H,4-12H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine?
N-(2-methylpropyl)-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine has a molecular weight of 238.42 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 55166322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).