N-[[3-(3-propan-2-ylazetidin-1-yl)phenyl]methyl]cyclopropanamine

C16H24N2 — CID 106913509

IUPACN-[[3-(3-propan-2-ylazetidin-1-yl)phenyl]methyl]cyclopropanamine
SMILESCC(C)C1CN(c2cccc(CNC3CC3)c2)C1
InChIInChI=1S/C16H24N2/c1-12(2)14-10-18(11-14)16-5-3-4-13(8-16)9-17-15-6-7-15/h3-5,8,12,14-15,17H,6-7,9-11H2,1-2H3
InChIKeyHHBQZKDLQZFPCY-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.03
Rot. Bonds5

About N-[[3-(3-propan-2-ylazetidin-1-yl)phenyl]methyl]cyclopropanamine

N-[[3-(3-propan-2-ylazetidin-1-yl)phenyl]methyl]cyclopropanamine (PubChem CID 106913509) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[[3-(3-propan-2-ylazetidin-1-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(3-propan-2-ylazetidin-1-yl)phenyl]methyl]cyclopropanamine
PubChem CID106913509
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-[[3-(3-propan-2-ylazetidin-1-yl)phenyl]methyl]cyclopropanamine
SMILESCC(C)C1CN(c2cccc(CNC3CC3)c2)C1
InChIInChI=1S/C16H24N2/c1-12(2)14-10-18(11-14)16-5-3-4-13(8-16)9-17-15-6-7-15/h3-5,8,12,14-15,17H,6-7,9-11H2,1-2H3
InChIKeyHHBQZKDLQZFPCY-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-propan-2-ylazetidin-1-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(3-propan-2-ylazetidin-1-yl)phenyl]methyl]cyclopropanamine (CID 106913509) is N-[[3-(3-propan-2-ylazetidin-1-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(3-propan-2-ylazetidin-1-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(3-propan-2-ylazetidin-1-yl)phenyl]methyl]cyclopropanamine is CC(C)C1CN(c2cccc(CNC3CC3)c2)C1.
What is the InChIKey of N-[[3-(3-propan-2-ylazetidin-1-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is HHBQZKDLQZFPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-12(2)14-10-18(11-14)16-5-3-4-13(8-16)9-17-15-6-7-15/h3-5,8,12,14-15,17H,6-7,9-11H2,1-2H3.
What are the key properties of N-[[3-(3-propan-2-ylazetidin-1-yl)phenyl]methyl]cyclopropanamine?
N-[[3-(3-propan-2-ylazetidin-1-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 244.38 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-propan-2-ylazetidin-1-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 106913509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).