2,2-dimethyl-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropan-1-amine

C13H26N2 — CID 63142903

IUPAC2,2-dimethyl-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropan-1-amine
SMILESCCCC1(CNC2CC2(C)C)CCNC1
InChIInChI=1S/C13H26N2/c1-4-5-13(6-7-14-9-13)10-15-11-8-12(11,2)3/h11,14-15H,4-10H2,1-3H3
InChIKeyBCXJMQWNMHFASW-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.15
Rot. Bonds5

About 2,2-dimethyl-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropan-1-amine

2,2-dimethyl-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropan-1-amine (PubChem CID 63142903) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropan-1-amine
PubChem CID63142903
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name2,2-dimethyl-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropan-1-amine
SMILESCCCC1(CNC2CC2(C)C)CCNC1
InChIInChI=1S/C13H26N2/c1-4-5-13(6-7-14-9-13)10-15-11-8-12(11,2)3/h11,14-15H,4-10H2,1-3H3
InChIKeyBCXJMQWNMHFASW-UHFFFAOYSA-N
XLogP2.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropan-1-amine (CID 63142903) is 2,2-dimethyl-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropan-1-amine is CCCC1(CNC2CC2(C)C)CCNC1.
What is the InChIKey of 2,2-dimethyl-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropan-1-amine?
The InChIKey is BCXJMQWNMHFASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-5-13(6-7-14-9-13)10-15-11-8-12(11,2)3/h11,14-15H,4-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropan-1-amine?
2,2-dimethyl-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropan-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 63142903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).