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

C15H29NO — CID 114981755

IUPACN-[cyclohexyl-(5-methyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCCCC1)C1COC(C)C1
InChIInChI=1S/C15H29NO/c1-3-9-16-15(13-7-5-4-6-8-13)14-10-12(2)17-11-14/h12-16H,3-11H2,1-2H3
InChIKeyYPOWFEGFPILUIW-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds5

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

N-[cyclohexyl-(5-methyloxolan-3-yl)methyl]propan-1-amine (PubChem CID 114981755) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-[cyclohexyl-(5-methyloxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclohexyl-(5-methyloxolan-3-yl)methyl]propan-1-amine
PubChem CID114981755
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-[cyclohexyl-(5-methyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCCCC1)C1COC(C)C1
InChIInChI=1S/C15H29NO/c1-3-9-16-15(13-7-5-4-6-8-13)14-10-12(2)17-11-14/h12-16H,3-11H2,1-2H3
InChIKeyYPOWFEGFPILUIW-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine
CID 80609458
N-[cycloheptyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 65399657
N-[cyclohexyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 64738638
N-[cyclohexyl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79907861
N-[(5-methyloxolan-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105052714
N-[(4-tert-butylcyclohexyl)-cyclohexylmethyl]propan-1-amine
CID 65412906
N-[cycloheptyl-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 105027825
N-[1-(5-methyloxolan-3-yl)-2-propan-2-yloxyethyl]propan-1-amine
CID 105013507
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 105009975
N-[(3,5-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 64729509
N-[cyclobutyl-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 64986298
1-(5-methyloxolan-3-yl)-N-propylpent-4-yn-1-amine
CID 115859664

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-(5-methyloxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclohexyl-(5-methyloxolan-3-yl)methyl]propan-1-amine (CID 114981755) is N-[cyclohexyl-(5-methyloxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclohexyl-(5-methyloxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclohexyl-(5-methyloxolan-3-yl)methyl]propan-1-amine is CCCNC(C1CCCCC1)C1COC(C)C1.
What is the InChIKey of N-[cyclohexyl-(5-methyloxolan-3-yl)methyl]propan-1-amine?
The InChIKey is YPOWFEGFPILUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-9-16-15(13-7-5-4-6-8-13)14-10-12(2)17-11-14/h12-16H,3-11H2,1-2H3.
What are the key properties of N-[cyclohexyl-(5-methyloxolan-3-yl)methyl]propan-1-amine?
N-[cyclohexyl-(5-methyloxolan-3-yl)methyl]propan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-(5-methyloxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 114981755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).