1-(heptoxymethyl)cycloheptan-1-amine

C15H31NO — CID 64551837

IUPAC1-(heptoxymethyl)cycloheptan-1-amine
SMILESCCCCCCCOCC1(N)CCCCCC1
InChIInChI=1S/C15H31NO/c1-2-3-4-7-10-13-17-14-15(16)11-8-5-6-9-12-15/h2-14,16H2,1H3
InChIKeySPVFVCRKQUVXLI-UHFFFAOYSA-N
MW241.42 g/mol
LogP4.03
Rot. Bonds8

About 1-(heptoxymethyl)cycloheptan-1-amine

1-(heptoxymethyl)cycloheptan-1-amine (PubChem CID 64551837) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-(heptoxymethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(heptoxymethyl)cycloheptan-1-amine
PubChem CID64551837
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-(heptoxymethyl)cycloheptan-1-amine
SMILESCCCCCCCOCC1(N)CCCCCC1
InChIInChI=1S/C15H31NO/c1-2-3-4-7-10-13-17-14-15(16)11-8-5-6-9-12-15/h2-14,16H2,1H3
InChIKeySPVFVCRKQUVXLI-UHFFFAOYSA-N
XLogP4.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.03
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-(heptoxymethyl)cycloheptan-1-amine?
The IUPAC name of 1-(heptoxymethyl)cycloheptan-1-amine (CID 64551837) is 1-(heptoxymethyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(heptoxymethyl)cycloheptan-1-amine?
The canonical SMILES for 1-(heptoxymethyl)cycloheptan-1-amine is CCCCCCCOCC1(N)CCCCCC1.
What is the InChIKey of 1-(heptoxymethyl)cycloheptan-1-amine?
The InChIKey is SPVFVCRKQUVXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-2-3-4-7-10-13-17-14-15(16)11-8-5-6-9-12-15/h2-14,16H2,1H3.
What are the key properties of 1-(heptoxymethyl)cycloheptan-1-amine?
1-(heptoxymethyl)cycloheptan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(heptoxymethyl)cycloheptan-1-amine is sourced from PubChem (CID 64551837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).