1-(2-butoxyethoxymethyl)cycloheptan-1-amine

C14H29NO2 — CID 64548962

IUPAC1-(2-butoxyethoxymethyl)cycloheptan-1-amine
SMILESCCCCOCCOCC1(N)CCCCCC1
InChIInChI=1S/C14H29NO2/c1-2-3-10-16-11-12-17-13-14(15)8-6-4-5-7-9-14/h2-13,15H2,1H3
InChIKeySIDUMTLMHLGAMJ-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.87
Rot. Bonds8

About 1-(2-butoxyethoxymethyl)cycloheptan-1-amine

1-(2-butoxyethoxymethyl)cycloheptan-1-amine (PubChem CID 64548962) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(2-butoxyethoxymethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(2-butoxyethoxymethyl)cycloheptan-1-amine
PubChem CID64548962
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-(2-butoxyethoxymethyl)cycloheptan-1-amine
SMILESCCCCOCCOCC1(N)CCCCCC1
InChIInChI=1S/C14H29NO2/c1-2-3-10-16-11-12-17-13-14(15)8-6-4-5-7-9-14/h2-13,15H2,1H3
InChIKeySIDUMTLMHLGAMJ-UHFFFAOYSA-N
XLogP2.87
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(pentoxymethyl)cyclohexan-1-amine
CID 64572474
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclohexan-1-amine
CID 104564416
1-[3-(dimethylamino)propoxymethyl]cycloheptan-1-amine
CID 114525846
1-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]cycloheptan-1-amine
CID 112590376
1-(pent-3-ynoxymethyl)cyclohexan-1-amine
CID 104808636
5-[(1-aminocyclopentyl)methoxy]pentanenitrile
CID 64572441
1-butylcyclohexan-1-amine
CID 13182498
1-butylcyclohexan-1-amine;hydrochloride
CID 45264189
1-(2-propan-2-ylsulfonylethoxymethyl)cycloheptan-1-amine
CID 106726951
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]cyclohexane-1-carbonitrile
CID 104568465
1-butoxybutane;cyclohexane;trifluoroborane
CID 174963803
1-(2-butoxyethyl)-2-methylcyclohexan-1-amine
CID 115001863

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethoxymethyl)cycloheptan-1-amine?
The IUPAC name of 1-(2-butoxyethoxymethyl)cycloheptan-1-amine (CID 64548962) is 1-(2-butoxyethoxymethyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(2-butoxyethoxymethyl)cycloheptan-1-amine?
The canonical SMILES for 1-(2-butoxyethoxymethyl)cycloheptan-1-amine is CCCCOCCOCC1(N)CCCCCC1.
What is the InChIKey of 1-(2-butoxyethoxymethyl)cycloheptan-1-amine?
The InChIKey is SIDUMTLMHLGAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-2-3-10-16-11-12-17-13-14(15)8-6-4-5-7-9-14/h2-13,15H2,1H3.
What are the key properties of 1-(2-butoxyethoxymethyl)cycloheptan-1-amine?
1-(2-butoxyethoxymethyl)cycloheptan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethoxymethyl)cycloheptan-1-amine is sourced from PubChem (CID 64548962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).