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

C15H29NO — CID 103131852

IUPAC3-[(5-methyloxolan-2-yl)methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(CC2CCC(C)O2)C1
InChIInChI=1S/C15H29NO/c1-3-9-16-14-6-4-5-13(10-14)11-15-8-7-12(2)17-15/h12-16H,3-11H2,1-2H3
InChIKeyONTVBRCMPQLBCM-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.50
Rot. Bonds5

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

3-[(5-methyloxolan-2-yl)methyl]-N-propylcyclohexan-1-amine (PubChem CID 103131852) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 3-[(5-methyloxolan-2-yl)methyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name3-[(5-methyloxolan-2-yl)methyl]-N-propylcyclohexan-1-amine
PubChem CID103131852
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name3-[(5-methyloxolan-2-yl)methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(CC2CCC(C)O2)C1
InChIInChI=1S/C15H29NO/c1-3-9-16-14-6-4-5-13(10-14)11-15-8-7-12(2)17-15/h12-16H,3-11H2,1-2H3
InChIKeyONTVBRCMPQLBCM-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-propylcyclohexane-1,3-diamine
CID 22026573
3-[(5-methyloxolan-2-yl)methyl]cycloheptan-1-amine
CID 103131833
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
3-(2-bicyclo[2.2.1]heptanylmethyl)-N-propylcyclohexan-1-amine
CID 79550350
3-methyl-N-[(5-methyloxolan-2-yl)methyl]cyclopentan-1-amine
CID 114543980
3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylcyclopentan-1-amine
CID 102901303
3-(propan-2-yloxymethyl)-N-propylcycloheptan-1-amine
CID 79569560
3-(3-ethoxypropyl)-N-propylcyclohexan-1-amine
CID 65178231
1-N,2-N,4-N-tripropylcyclohexane-1,2,4-triamine
CID 69425142
2-methyl-N-[(5-methyloxolan-2-yl)methyl]cyclopropan-1-amine
CID 82835970
N-propyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 79824744
3-[(3-chlorothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine
CID 112749641

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyloxolan-2-yl)methyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 3-[(5-methyloxolan-2-yl)methyl]-N-propylcyclohexan-1-amine (CID 103131852) is 3-[(5-methyloxolan-2-yl)methyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 3-[(5-methyloxolan-2-yl)methyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 3-[(5-methyloxolan-2-yl)methyl]-N-propylcyclohexan-1-amine is CCCNC1CCCC(CC2CCC(C)O2)C1.
What is the InChIKey of 3-[(5-methyloxolan-2-yl)methyl]-N-propylcyclohexan-1-amine?
The InChIKey is ONTVBRCMPQLBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-9-16-14-6-4-5-13(10-14)11-15-8-7-12(2)17-15/h12-16H,3-11H2,1-2H3.
What are the key properties of 3-[(5-methyloxolan-2-yl)methyl]-N-propylcyclohexan-1-amine?
3-[(5-methyloxolan-2-yl)methyl]-N-propylcyclohexan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyloxolan-2-yl)methyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 103131852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).