N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropanamine

C15H22N2 — CID 96555702

IUPACN-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESc1ccc(CN(C[C@@H]2CCNC2)C2CC2)cc1
InChIInChI=1S/C15H22N2/c1-2-4-13(5-3-1)11-17(15-6-7-15)12-14-8-9-16-10-14/h1-5,14-16H,6-12H2/t14-/m1/s1
InChIKeyLXGNUKBPISEFSE-CQSZACIVSA-N
MW230.36 g/mol
LogP2.26
Rot. Bonds5

About N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropanamine

N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropanamine (PubChem CID 96555702) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropanamine
PubChem CID96555702
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC NameN-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESc1ccc(CN(C[C@@H]2CCNC2)C2CC2)cc1
InChIInChI=1S/C15H22N2/c1-2-4-13(5-3-1)11-17(15-6-7-15)12-14-8-9-16-10-14/h1-5,14-16H,6-12H2/t14-/m1/s1
InChIKeyLXGNUKBPISEFSE-CQSZACIVSA-N
XLogP2.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-[[(3R)-piperidin-3-yl]methyl]cyclopropanamine
CID 96555707
N-benzyl-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 56831736
N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 86323590
N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine
CID 94408590
N-[(4-chlorophenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride
CID 119930119
N-(naphthalen-2-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 119930115
N-[[4-(difluoromethyl)phenyl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624895
N-(azetidin-3-ylmethyl)-N-[(4-methylphenyl)methyl]cyclopropanamine
CID 159405748
(3S)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66569411
N-benzyl-N-ethylpyrrolidin-3-amine
CID 53410837
N-ethyl-N-(pyrrolidin-3-ylmethyl)cyclopropanamine
CID 62372474
1-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]-N-benzyl-N-(cyclopropylmethyl)piperidin-4-amine
CID 143263972

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropanamine (CID 96555702) is N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropanamine is c1ccc(CN(C[C@@H]2CCNC2)C2CC2)cc1.
What is the InChIKey of N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropanamine?
The InChIKey is LXGNUKBPISEFSE-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-4-13(5-3-1)11-17(15-6-7-15)12-14-8-9-16-10-14/h1-5,14-16H,6-12H2/t14-/m1/s1.
What are the key properties of N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropanamine?
N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropanamine has a molecular weight of 230.36 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 96555702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).