1-(pentoxymethyl)cyclohexan-1-amine

C12H25NO — CID 64572474

IUPAC1-(pentoxymethyl)cyclohexan-1-amine
SMILESCCCCCOCC1(N)CCCCC1
InChIInChI=1S/C12H25NO/c1-2-3-7-10-14-11-12(13)8-5-4-6-9-12/h2-11,13H2,1H3
InChIKeyQLTSCBLQWXRGGI-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.85
Rot. Bonds6

About 1-(pentoxymethyl)cyclohexan-1-amine

1-(pentoxymethyl)cyclohexan-1-amine (PubChem CID 64572474) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(pentoxymethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(pentoxymethyl)cyclohexan-1-amine
PubChem CID64572474
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-(pentoxymethyl)cyclohexan-1-amine
SMILESCCCCCOCC1(N)CCCCC1
InChIInChI=1S/C12H25NO/c1-2-3-7-10-14-11-12(13)8-5-4-6-9-12/h2-11,13H2,1H3
InChIKeyQLTSCBLQWXRGGI-UHFFFAOYSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.85
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-butoxyethoxymethyl)cycloheptan-1-amine
CID 64548962
1-[3-(dimethylamino)propoxymethyl]cycloheptan-1-amine
CID 114525846
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclohexan-1-amine
CID 104564416
5-[(1-aminocyclopentyl)methoxy]pentanenitrile
CID 64572441
1-[2-(dimethylamino)ethoxymethyl]cycloheptan-1-amine
CID 64549368
1-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]cycloheptan-1-amine
CID 112590376
1-heptylcycloheptan-1-amine
CID 63407607
[2-(octoxymethyl)oxan-2-yl]silane
CID 123215411
1-(pent-3-ynoxymethyl)cyclohexan-1-amine
CID 104808636
1-butylcyclohexan-1-amine
CID 13182498
1-butylcyclohexan-1-amine;hydrochloride
CID 45264189
1-(2-propan-2-ylsulfonylethoxymethyl)cycloheptan-1-amine
CID 106726951

Frequently Asked Questions

What is the IUPAC name of 1-(pentoxymethyl)cyclohexan-1-amine?
The IUPAC name of 1-(pentoxymethyl)cyclohexan-1-amine (CID 64572474) is 1-(pentoxymethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(pentoxymethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(pentoxymethyl)cyclohexan-1-amine is CCCCCOCC1(N)CCCCC1.
What is the InChIKey of 1-(pentoxymethyl)cyclohexan-1-amine?
The InChIKey is QLTSCBLQWXRGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-2-3-7-10-14-11-12(13)8-5-4-6-9-12/h2-11,13H2,1H3.
What are the key properties of 1-(pentoxymethyl)cyclohexan-1-amine?
1-(pentoxymethyl)cyclohexan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pentoxymethyl)cyclohexan-1-amine is sourced from PubChem (CID 64572474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).