1-(butoxymethyl)cycloheptan-1-amine

C12H25NO — CID 64549145

IUPAC1-(butoxymethyl)cycloheptan-1-amine
SMILESCCCCOCC1(N)CCCCCC1
InChIInChI=1S/C12H25NO/c1-2-3-10-14-11-12(13)8-6-4-5-7-9-12/h2-11,13H2,1H3
InChIKeyOGEHFPJASPKIGK-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.85
Rot. Bonds5

About 1-(butoxymethyl)cycloheptan-1-amine

1-(butoxymethyl)cycloheptan-1-amine (PubChem CID 64549145) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(butoxymethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(butoxymethyl)cycloheptan-1-amine
PubChem CID64549145
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-(butoxymethyl)cycloheptan-1-amine
SMILESCCCCOCC1(N)CCCCCC1
InChIInChI=1S/C12H25NO/c1-2-3-10-14-11-12(13)8-6-4-5-7-9-12/h2-11,13H2,1H3
InChIKeyOGEHFPJASPKIGK-UHFFFAOYSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-(Methoxymethyl)cyclohexan-1-amine
CID 54594344
1-(Methoxymethyl)cycloheptan-1-amine hydrochloride
CID 167737544
5-(Methoxymethyl)nonan-5-amine
CID 12312142
1-[3-(2,2,2-Trifluoroethoxy)propoxymethyl]cycloheptan-1-amine
CID 64548753
1-(2,2,2-Trifluoroethoxymethyl)cycloheptan-1-amine
CID 64551698
1-(2,2-Difluoroethoxymethyl)cycloheptan-1-amine
CID 64551901
1-(3,3,3-Trifluoropropoxymethyl)cycloheptan-1-amine
CID 64565707
1-(2-Fluoroethoxymethyl)cycloheptan-1-amine
CID 80694930
1-(3-Fluoropropoxymethyl)cycloheptan-1-amine
CID 81113273
1-(Difluoromethoxymethyl)cycloheptan-1-amine
CID 114782802
1-(4,4,4-Trifluorobutoxymethyl)cycloheptan-1-amine
CID 115514560
3-Butyloxolan-3-amine
CID 65020108

Frequently Asked Questions

What is the IUPAC name of 1-(butoxymethyl)cycloheptan-1-amine?
The IUPAC name of 1-(butoxymethyl)cycloheptan-1-amine (CID 64549145) is 1-(butoxymethyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(butoxymethyl)cycloheptan-1-amine?
The canonical SMILES for 1-(butoxymethyl)cycloheptan-1-amine is CCCCOCC1(N)CCCCCC1.
What is the InChIKey of 1-(butoxymethyl)cycloheptan-1-amine?
The InChIKey is OGEHFPJASPKIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-2-3-10-14-11-12(13)8-6-4-5-7-9-12/h2-11,13H2,1H3.
What are the key properties of 1-(butoxymethyl)cycloheptan-1-amine?
1-(butoxymethyl)cycloheptan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butoxymethyl)cycloheptan-1-amine is sourced from PubChem (CID 64549145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).