1-(hexoxymethyl)cycloheptan-1-amine

C14H29NO — CID 64551223

IUPAC1-(hexoxymethyl)cycloheptan-1-amine
SMILESCCCCCCOCC1(N)CCCCCC1
InChIInChI=1S/C14H29NO/c1-2-3-4-9-12-16-13-14(15)10-7-5-6-8-11-14/h2-13,15H2,1H3
InChIKeyVWFKNBPNASSMIA-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.63
Rot. Bonds7

About 1-(hexoxymethyl)cycloheptan-1-amine

1-(hexoxymethyl)cycloheptan-1-amine (PubChem CID 64551223) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-(hexoxymethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(hexoxymethyl)cycloheptan-1-amine
PubChem CID64551223
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-(hexoxymethyl)cycloheptan-1-amine
SMILESCCCCCCOCC1(N)CCCCCC1
InChIInChI=1S/C14H29NO/c1-2-3-4-9-12-16-13-14(15)10-7-5-6-8-11-14/h2-13,15H2,1H3
InChIKeyVWFKNBPNASSMIA-UHFFFAOYSA-N
XLogP3.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.63
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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Frequently Asked Questions

What is the IUPAC name of 1-(hexoxymethyl)cycloheptan-1-amine?
The IUPAC name of 1-(hexoxymethyl)cycloheptan-1-amine (CID 64551223) is 1-(hexoxymethyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(hexoxymethyl)cycloheptan-1-amine?
The canonical SMILES for 1-(hexoxymethyl)cycloheptan-1-amine is CCCCCCOCC1(N)CCCCCC1.
What is the InChIKey of 1-(hexoxymethyl)cycloheptan-1-amine?
The InChIKey is VWFKNBPNASSMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-2-3-4-9-12-16-13-14(15)10-7-5-6-8-11-14/h2-13,15H2,1H3.
What are the key properties of 1-(hexoxymethyl)cycloheptan-1-amine?
1-(hexoxymethyl)cycloheptan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hexoxymethyl)cycloheptan-1-amine is sourced from PubChem (CID 64551223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).