[1-(2-propoxyethyl)cyclooctyl]methanamine

C14H29NO — CID 106459345

IUPAC[1-(2-propoxyethyl)cyclooctyl]methanamine
SMILESCCCOCCC1(CN)CCCCCCC1
InChIInChI=1S/C14H29NO/c1-2-11-16-12-10-14(13-15)8-6-4-3-5-7-9-14/h2-13,15H2,1H3
InChIKeyOSWWAKZAGISLQW-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.49
Rot. Bonds6

About [1-(2-propoxyethyl)cyclooctyl]methanamine

[1-(2-propoxyethyl)cyclooctyl]methanamine (PubChem CID 106459345) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is [1-(2-propoxyethyl)cyclooctyl]methanamine.

Molecular Properties

Compound Name[1-(2-propoxyethyl)cyclooctyl]methanamine
PubChem CID106459345
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name[1-(2-propoxyethyl)cyclooctyl]methanamine
SMILESCCCOCCC1(CN)CCCCCCC1
InChIInChI=1S/C14H29NO/c1-2-11-16-12-10-14(13-15)8-6-4-3-5-7-9-14/h2-13,15H2,1H3
InChIKeyOSWWAKZAGISLQW-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.49
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

[1-(2-ethoxyethyl)cyclopentyl]methanamine
CID 62724287
1-(chloromethyl)-1-(2-propoxyethyl)cyclopentane
CID 106459535
[1-[2-(2-methylpropoxy)ethyl]cycloheptyl]methanamine
CID 106459323
[4-propan-2-yl-1-(2-propoxyethyl)cyclohexyl]methanamine
CID 106459327
(1-pentylcyclopentyl)methanamine
CID 62725889
[1-(propoxymethyl)cyclopropyl]methanamine
CID 84762802
[1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine
CID 106456984
[4-(2-butoxyethyl)oxan-4-yl]methanamine
CID 62906946
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide
CID 107941625
[1-(2-butoxyethyl)-4-ethylcyclohexyl]methanamine
CID 65394946
N-[[1-(2-propoxyethyl)cyclobutyl]methyl]propan-2-amine
CID 106456993
ethane;[1-(2-methoxyethyl)cyclobutyl]methanamine
CID 156798324

Frequently Asked Questions

What is the IUPAC name of [1-(2-propoxyethyl)cyclooctyl]methanamine?
The IUPAC name of [1-(2-propoxyethyl)cyclooctyl]methanamine (CID 106459345) is [1-(2-propoxyethyl)cyclooctyl]methanamine.
What is the SMILES notation for [1-(2-propoxyethyl)cyclooctyl]methanamine?
The canonical SMILES for [1-(2-propoxyethyl)cyclooctyl]methanamine is CCCOCCC1(CN)CCCCCCC1.
What is the InChIKey of [1-(2-propoxyethyl)cyclooctyl]methanamine?
The InChIKey is OSWWAKZAGISLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-2-11-16-12-10-14(13-15)8-6-4-3-5-7-9-14/h2-13,15H2,1H3.
What are the key properties of [1-(2-propoxyethyl)cyclooctyl]methanamine?
[1-(2-propoxyethyl)cyclooctyl]methanamine has a molecular weight of 227.39 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-propoxyethyl)cyclooctyl]methanamine is sourced from PubChem (CID 106459345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).