N-[(5-methyloxolan-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine

C18H27NO — CID 105052714

IUPACN-[(5-methyloxolan-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(C1COC(C)C1)C1CC1c1ccccc1
InChIInChI=1S/C18H27NO/c1-3-9-19-18(15-10-13(2)20-12-15)17-11-16(17)14-7-5-4-6-8-14/h4-8,13,15-19H,3,9-12H2,1-2H3
InChIKeyIKFZRZSULXEYTQ-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.58
Rot. Bonds6

About N-[(5-methyloxolan-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine

N-[(5-methyloxolan-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine (PubChem CID 105052714) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[(5-methyloxolan-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-methyloxolan-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
PubChem CID105052714
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[(5-methyloxolan-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(C1COC(C)C1)C1CC1c1ccccc1
InChIInChI=1S/C18H27NO/c1-3-9-19-18(15-10-13(2)20-12-15)17-11-16(17)14-7-5-4-6-8-14/h4-8,13,15-19H,3,9-12H2,1-2H3
InChIKeyIKFZRZSULXEYTQ-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(5-methyloxolan-3-yl)-1-(2-phenylcyclopropyl)methanamine
CID 105052716
N-[3-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105052478
N-[6-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105052510
N-[cyclohexyl-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 114981755
N-[2,2-diethoxy-1-(2-phenylcyclopropyl)ethyl]propan-1-amine
CID 116517734
N-[2-(2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 114825874
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 105009975
N-[(5-methylpyrimidin-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 116517868
N-[(3-methylcyclohexyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517434
N-[(4-methylthiomorpholin-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 106445339
1-(2-phenylcyclopropyl)-N-propyloctan-1-amine
CID 115832271
N-[(5-methyloxolan-3-yl)-(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 105018423

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyloxolan-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-methyloxolan-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine (CID 105052714) is N-[(5-methyloxolan-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-methyloxolan-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-methyloxolan-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine is CCCNC(C1COC(C)C1)C1CC1c1ccccc1.
What is the InChIKey of N-[(5-methyloxolan-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine?
The InChIKey is IKFZRZSULXEYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-3-9-19-18(15-10-13(2)20-12-15)17-11-16(17)14-7-5-4-6-8-14/h4-8,13,15-19H,3,9-12H2,1-2H3.
What are the key properties of N-[(5-methyloxolan-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine?
N-[(5-methyloxolan-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyloxolan-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 105052714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).