N-(azetidin-3-ylmethyl)-N-[(4-methylphenyl)methyl]cyclopropanamine

C15H22N2 — CID 159405748

IUPACN-(azetidin-3-ylmethyl)-N-[(4-methylphenyl)methyl]cyclopropanamine
SMILESCc1ccc(CN(CC2CNC2)C2CC2)cc1
InChIInChI=1S/C15H22N2/c1-12-2-4-13(5-3-12)10-17(15-6-7-15)11-14-8-16-9-14/h2-5,14-16H,6-11H2,1H3
InChIKeyLNXUOUZRJKJAPN-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.18
Rot. Bonds5

About N-(azetidin-3-ylmethyl)-N-[(4-methylphenyl)methyl]cyclopropanamine

N-(azetidin-3-ylmethyl)-N-[(4-methylphenyl)methyl]cyclopropanamine (PubChem CID 159405748) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-N-[(4-methylphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-N-[(4-methylphenyl)methyl]cyclopropanamine
PubChem CID159405748
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC NameN-(azetidin-3-ylmethyl)-N-[(4-methylphenyl)methyl]cyclopropanamine
SMILESCc1ccc(CN(CC2CNC2)C2CC2)cc1
InChIInChI=1S/C15H22N2/c1-12-2-4-13(5-3-12)10-17(15-6-7-15)11-14-8-16-9-14/h2-5,14-16H,6-11H2,1H3
InChIKeyLNXUOUZRJKJAPN-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropanamine
CID 96555702
N-(azetidin-3-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentanamine
CID 142725287
N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624936
N-benzyl-N-[[(3R)-piperidin-3-yl]methyl]cyclopropanamine
CID 96555707
N-[(4-chlorophenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride
CID 119930119
N-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)cyclopentanamine
CID 118713781
N-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)cyclohexanamine
CID 118713779
N-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine
CID 51964622
N-[[4-(difluoromethyl)phenyl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624895
N-(cyclopropylmethyl)-N-[(4-trimethylsilylphenyl)methyl]cyclopropanamine
CID 103438455
N-(azetidin-3-ylmethyl)-N-[(3-chloro-4-fluorophenyl)methyl]cyclohexanamine
CID 142725296
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 27119187

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-N-[(4-methylphenyl)methyl]cyclopropanamine?
The IUPAC name of N-(azetidin-3-ylmethyl)-N-[(4-methylphenyl)methyl]cyclopropanamine (CID 159405748) is N-(azetidin-3-ylmethyl)-N-[(4-methylphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-N-[(4-methylphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-(azetidin-3-ylmethyl)-N-[(4-methylphenyl)methyl]cyclopropanamine is Cc1ccc(CN(CC2CNC2)C2CC2)cc1.
What is the InChIKey of N-(azetidin-3-ylmethyl)-N-[(4-methylphenyl)methyl]cyclopropanamine?
The InChIKey is LNXUOUZRJKJAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-12-2-4-13(5-3-12)10-17(15-6-7-15)11-14-8-16-9-14/h2-5,14-16H,6-11H2,1H3.
What are the key properties of N-(azetidin-3-ylmethyl)-N-[(4-methylphenyl)methyl]cyclopropanamine?
N-(azetidin-3-ylmethyl)-N-[(4-methylphenyl)methyl]cyclopropanamine has a molecular weight of 230.36 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-N-[(4-methylphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 159405748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).