2-(oxan-4-ylmethoxy)-4-propylcyclohexan-1-amine

C15H29NO2 — CID 62382611

IUPAC2-(oxan-4-ylmethoxy)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(OCC2CCOCC2)C1
InChIInChI=1S/C15H29NO2/c1-2-3-12-4-5-14(16)15(10-12)18-11-13-6-8-17-9-7-13/h12-15H,2-11,16H2,1H3
InChIKeyBNKODJVFYVPCQB-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.73
Rot. Bonds5

About 2-(oxan-4-ylmethoxy)-4-propylcyclohexan-1-amine

2-(oxan-4-ylmethoxy)-4-propylcyclohexan-1-amine (PubChem CID 62382611) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-(oxan-4-ylmethoxy)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(oxan-4-ylmethoxy)-4-propylcyclohexan-1-amine
PubChem CID62382611
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-(oxan-4-ylmethoxy)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(OCC2CCOCC2)C1
InChIInChI=1S/C15H29NO2/c1-2-3-12-4-5-14(16)15(10-12)18-11-13-6-8-17-9-7-13/h12-15H,2-11,16H2,1H3
InChIKeyBNKODJVFYVPCQB-UHFFFAOYSA-N
XLogP2.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylmethoxy)-4-propylcyclohexan-1-amine
CID 66322821
N-ethyl-2-(oxan-4-ylmethoxy)-4-propylcyclohexan-1-amine
CID 62384259
4-[(3-chloro-2-propoxycyclobutyl)oxymethyl]oxane
CID 107942979
3-(oxan-4-ylmethoxy)cyclopentan-1-amine
CID 79458329
2-(4-ethoxyphenoxy)-4-propylcyclohexan-1-amine
CID 60916863
2-(propoxymethyl)-4-propylcyclohexan-1-amine
CID 81013169
2-(3,5-difluorophenoxy)-4-propylcyclohexan-1-amine
CID 62785970
4-methyl-2-(oxan-4-ylmethyl)cyclohexan-1-amine
CID 62386076
trans-(1S,2S)-2-(cyclopropylmethoxy)cyclopentan-1-amine
CID 28798081
3-(cyclopropylmethoxy)-2-methoxycyclobutan-1-amine
CID 104674531
4-[[(4S)-4-ethoxyoxolan-3-yl]oxymethyl]cyclohexan-1-amine
CID 155021500
2-ethyl-6-methyl-3-(oxan-4-ylmethoxy)piperidine
CID 103175011

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylmethoxy)-4-propylcyclohexan-1-amine?
The IUPAC name of 2-(oxan-4-ylmethoxy)-4-propylcyclohexan-1-amine (CID 62382611) is 2-(oxan-4-ylmethoxy)-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(oxan-4-ylmethoxy)-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-(oxan-4-ylmethoxy)-4-propylcyclohexan-1-amine is CCCC1CCC(N)C(OCC2CCOCC2)C1.
What is the InChIKey of 2-(oxan-4-ylmethoxy)-4-propylcyclohexan-1-amine?
The InChIKey is BNKODJVFYVPCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-2-3-12-4-5-14(16)15(10-12)18-11-13-6-8-17-9-7-13/h12-15H,2-11,16H2,1H3.
What are the key properties of 2-(oxan-4-ylmethoxy)-4-propylcyclohexan-1-amine?
2-(oxan-4-ylmethoxy)-4-propylcyclohexan-1-amine has a molecular weight of 255.40 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylmethoxy)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 62382611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).