N-[(1-octan-2-yloxycyclohexyl)methyl]ethanamine

C17H35NO — CID 63475010

IUPACN-[(1-octan-2-yloxycyclohexyl)methyl]ethanamine
SMILESCCCCCCC(C)OC1(CNCC)CCCCC1
InChIInChI=1S/C17H35NO/c1-4-6-7-9-12-16(3)19-17(15-18-5-2)13-10-8-11-14-17/h16,18H,4-15H2,1-3H3
InChIKeyZFVIUDRGLZYIKJ-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.67
Rot. Bonds10

About N-[(1-octan-2-yloxycyclohexyl)methyl]ethanamine

N-[(1-octan-2-yloxycyclohexyl)methyl]ethanamine (PubChem CID 63475010) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N-[(1-octan-2-yloxycyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-octan-2-yloxycyclohexyl)methyl]ethanamine
PubChem CID63475010
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN-[(1-octan-2-yloxycyclohexyl)methyl]ethanamine
SMILESCCCCCCC(C)OC1(CNCC)CCCCC1
InChIInChI=1S/C17H35NO/c1-4-6-7-9-12-16(3)19-17(15-18-5-2)13-10-8-11-14-17/h16,18H,4-15H2,1-3H3
InChIKeyZFVIUDRGLZYIKJ-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(4-methylpentan-2-yloxy)cyclohexyl]methyl]ethanamine
CID 62107364
N-[(1-pentan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 102984714
1-[(nonan-2-ylamino)methyl]cyclopentan-1-ol
CID 65105272
dimethyl-(2-nonadecan-2-yloxyoxan-2-yl)silane
CID 173200522
N-[(1-pentoxycycloheptyl)methyl]propan-1-amine
CID 55192110
N-[(1-cyclohexyloxycyclopentyl)methyl]ethanamine
CID 62108064
N-ethyl-1-(1-methylcyclohexyl)heptan-1-amine
CID 106829929
1-(1-ethoxycyclopentyl)-N-ethylnonan-1-amine
CID 116762131
N-[(1-octylcyclobutyl)methyl]ethanamine
CID 65194537
N-[(1-pentoxycyclopentyl)methyl]propan-1-amine
CID 62110733
N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methyl]ethanamine
CID 104565648
1-(1-ethoxycyclopentyl)-N-methyldecan-1-amine
CID 116761887

Frequently Asked Questions

What is the IUPAC name of N-[(1-octan-2-yloxycyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(1-octan-2-yloxycyclohexyl)methyl]ethanamine (CID 63475010) is N-[(1-octan-2-yloxycyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(1-octan-2-yloxycyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(1-octan-2-yloxycyclohexyl)methyl]ethanamine is CCCCCCC(C)OC1(CNCC)CCCCC1.
What is the InChIKey of N-[(1-octan-2-yloxycyclohexyl)methyl]ethanamine?
The InChIKey is ZFVIUDRGLZYIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-4-6-7-9-12-16(3)19-17(15-18-5-2)13-10-8-11-14-17/h16,18H,4-15H2,1-3H3.
What are the key properties of N-[(1-octan-2-yloxycyclohexyl)methyl]ethanamine?
N-[(1-octan-2-yloxycyclohexyl)methyl]ethanamine has a molecular weight of 269.47 g/mol, XLogP of 4.67, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-octan-2-yloxycyclohexyl)methyl]ethanamine is sourced from PubChem (CID 63475010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).