4-ethyl-2-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-amine

C14H27NO — CID 103135848

IUPAC4-ethyl-2-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-amine
SMILESCCC1CCC(N)C(CC2CCC(C)O2)C1
InChIInChI=1S/C14H27NO/c1-3-11-5-7-14(15)12(8-11)9-13-6-4-10(2)16-13/h10-14H,3-9,15H2,1-2H3
InChIKeyBWACENCIMOATIK-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.10
Rot. Bonds3

About 4-ethyl-2-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-amine

4-ethyl-2-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-amine (PubChem CID 103135848) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-ethyl-2-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-2-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-amine
PubChem CID103135848
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4-ethyl-2-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-amine
SMILESCCC1CCC(N)C(CC2CCC(C)O2)C1
InChIInChI=1S/C14H27NO/c1-3-11-5-7-14(15)12(8-11)9-13-6-4-10(2)16-13/h10-14H,3-9,15H2,1-2H3
InChIKeyBWACENCIMOATIK-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-2-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-amine (CID 103135848) is 4-ethyl-2-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-2-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-2-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-amine is CCC1CCC(N)C(CC2CCC(C)O2)C1.
What is the InChIKey of 4-ethyl-2-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is BWACENCIMOATIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-11-5-7-14(15)12(8-11)9-13-6-4-10(2)16-13/h10-14H,3-9,15H2,1-2H3.
What are the key properties of 4-ethyl-2-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-amine?
4-ethyl-2-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 103135848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).