N-methyl-1-(5-methyloxolan-3-yl)-1-(2-phenylcyclopropyl)methanamine

C16H23NO — CID 105052716

IUPACN-methyl-1-(5-methyloxolan-3-yl)-1-(2-phenylcyclopropyl)methanamine
SMILESCNC(C1COC(C)C1)C1CC1c1ccccc1
InChIInChI=1S/C16H23NO/c1-11-8-13(10-18-11)16(17-2)15-9-14(15)12-6-4-3-5-7-12/h3-7,11,13-17H,8-10H2,1-2H3
InChIKeyWSTQHZJNNMXGNW-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.80
Rot. Bonds4

About N-methyl-1-(5-methyloxolan-3-yl)-1-(2-phenylcyclopropyl)methanamine

N-methyl-1-(5-methyloxolan-3-yl)-1-(2-phenylcyclopropyl)methanamine (PubChem CID 105052716) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-methyl-1-(5-methyloxolan-3-yl)-1-(2-phenylcyclopropyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methyloxolan-3-yl)-1-(2-phenylcyclopropyl)methanamine
PubChem CID105052716
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-methyl-1-(5-methyloxolan-3-yl)-1-(2-phenylcyclopropyl)methanamine
SMILESCNC(C1COC(C)C1)C1CC1c1ccccc1
InChIInChI=1S/C16H23NO/c1-11-8-13(10-18-11)16(17-2)15-9-14(15)12-6-4-3-5-7-12/h3-7,11,13-17H,8-10H2,1-2H3
InChIKeyWSTQHZJNNMXGNW-UHFFFAOYSA-N
XLogP2.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-methyloxolan-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105052714
1-cyclobutyl-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 116517534
2-cyclopropyl-N-methyl-1-(2-phenylcyclopropyl)ethanamine
CID 116517798
N-methyl-1-(2-phenylcyclopropyl)prop-2-yn-1-amine
CID 104995936
N-methyl-1-(5-methyloxolan-3-yl)-1-thiophen-2-ylmethanamine
CID 114825004
(2R,4S)-2-methyl-4-phenyloxolane
CID 101336772
[cyclobutyl-(2-phenylcyclopropyl)methyl]hydrazine
CID 105224591
(2-methylcyclopropyl)-(2-phenylcyclopropyl)methanol
CID 116517226
N,N-dimethyl-1-[methylamino-(2-phenylcyclopropyl)methyl]cyclopentan-1-amine
CID 116517695
N-[(3-methylcyclohexyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517434
1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
CID 57373127
N-methyl-1-(2-phenylcyclopropyl)-1-(2,3,4-trifluorophenyl)methanamine
CID 115855352

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyloxolan-3-yl)-1-(2-phenylcyclopropyl)methanamine?
The IUPAC name of N-methyl-1-(5-methyloxolan-3-yl)-1-(2-phenylcyclopropyl)methanamine (CID 105052716) is N-methyl-1-(5-methyloxolan-3-yl)-1-(2-phenylcyclopropyl)methanamine.
What is the SMILES notation for N-methyl-1-(5-methyloxolan-3-yl)-1-(2-phenylcyclopropyl)methanamine?
The canonical SMILES for N-methyl-1-(5-methyloxolan-3-yl)-1-(2-phenylcyclopropyl)methanamine is CNC(C1COC(C)C1)C1CC1c1ccccc1.
What is the InChIKey of N-methyl-1-(5-methyloxolan-3-yl)-1-(2-phenylcyclopropyl)methanamine?
The InChIKey is WSTQHZJNNMXGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-11-8-13(10-18-11)16(17-2)15-9-14(15)12-6-4-3-5-7-12/h3-7,11,13-17H,8-10H2,1-2H3.
What are the key properties of N-methyl-1-(5-methyloxolan-3-yl)-1-(2-phenylcyclopropyl)methanamine?
N-methyl-1-(5-methyloxolan-3-yl)-1-(2-phenylcyclopropyl)methanamine has a molecular weight of 245.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyloxolan-3-yl)-1-(2-phenylcyclopropyl)methanamine is sourced from PubChem (CID 105052716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).