N-[cycloheptyl-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine

C18H35NO — CID 105027825

IUPACN-[cycloheptyl-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCCCCC1)C1C(C)OC(C)C1C
InChIInChI=1S/C18H35NO/c1-5-12-19-18(16-10-8-6-7-9-11-16)17-13(2)14(3)20-15(17)4/h13-19H,5-12H2,1-4H3
InChIKeyRRHLVYVZWZNVCY-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.38
Rot. Bonds5

About N-[cycloheptyl-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine

N-[cycloheptyl-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine (PubChem CID 105027825) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is N-[cycloheptyl-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cycloheptyl-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
PubChem CID105027825
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC NameN-[cycloheptyl-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCCCCC1)C1C(C)OC(C)C1C
InChIInChI=1S/C18H35NO/c1-5-12-19-18(16-10-8-6-7-9-11-16)17-13(2)14(3)20-15(17)4/h13-19H,5-12H2,1-4H3
InChIKeyRRHLVYVZWZNVCY-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine
CID 80609458
[cyclohexyl-(2,4,5-trimethyloxolan-3-yl)methyl]hydrazine
CID 105282121
N-[cyclohexyl-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 114981755
N-[cyclohexyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 64738638
N-[cycloheptyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 65399657
N-[(4-tert-butylcyclohexyl)-cyclohexylmethyl]propan-1-amine
CID 65412906
N-[7-bicyclo[4.1.0]heptanyl-(3-methylcyclohexyl)methyl]propan-1-amine
CID 104991950
N-[cyclohexyl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79907861
1-cycloheptyl-2,2-dimethyl-N-propylbutan-1-amine
CID 105027902
N-[(1R)-1-cycloheptylethyl]propan-1-amine
CID 81393503
N-(1-cyclohexyl-2-cyclopropylethyl)propan-1-amine
CID 64906584
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094

Frequently Asked Questions

What is the IUPAC name of N-[cycloheptyl-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[cycloheptyl-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine (CID 105027825) is N-[cycloheptyl-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cycloheptyl-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cycloheptyl-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine is CCCNC(C1CCCCCC1)C1C(C)OC(C)C1C.
What is the InChIKey of N-[cycloheptyl-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine?
The InChIKey is RRHLVYVZWZNVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-5-12-19-18(16-10-8-6-7-9-11-16)17-13(2)14(3)20-15(17)4/h13-19H,5-12H2,1-4H3.
What are the key properties of N-[cycloheptyl-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine?
N-[cycloheptyl-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine has a molecular weight of 281.48 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cycloheptyl-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 105027825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).