[1-[2-(2-methylpropoxy)ethyl]cycloheptyl]methanamine

C14H29NO — CID 106459323

IUPAC[1-[2-(2-methylpropoxy)ethyl]cycloheptyl]methanamine
SMILESCC(C)COCCC1(CN)CCCCCC1
InChIInChI=1S/C14H29NO/c1-13(2)11-16-10-9-14(12-15)7-5-3-4-6-8-14/h13H,3-12,15H2,1-2H3
InChIKeyVBAXBAYXYZUTNK-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.35
Rot. Bonds6

About [1-[2-(2-methylpropoxy)ethyl]cycloheptyl]methanamine

[1-[2-(2-methylpropoxy)ethyl]cycloheptyl]methanamine (PubChem CID 106459323) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is [1-[2-(2-methylpropoxy)ethyl]cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-[2-(2-methylpropoxy)ethyl]cycloheptyl]methanamine
PubChem CID106459323
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name[1-[2-(2-methylpropoxy)ethyl]cycloheptyl]methanamine
SMILESCC(C)COCCC1(CN)CCCCCC1
InChIInChI=1S/C14H29NO/c1-13(2)11-16-10-9-14(12-15)7-5-3-4-6-8-14/h13H,3-12,15H2,1-2H3
InChIKeyVBAXBAYXYZUTNK-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.35
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-(2-methylpropoxy)ethyl]cyclobutyl]methanamine
CID 106456984
N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclohexyl]methanamine
CID 106456830
[1-(2-propoxyethyl)cyclooctyl]methanamine
CID 106459345
[1-(2-ethoxyethyl)cyclopentyl]methanamine
CID 62724287
[1-(2-methylpropoxymethyl)cyclobutyl]methanamine
CID 97033932
[1-[2-(3-methylbutoxy)ethyl]cyclopropyl]methanamine
CID 66024632
N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine
CID 106456986
1-[2-(2-methylpropoxy)ethyl]cyclobutan-1-amine
CID 106459234
N-[[1-[2-(2-methylpropoxy)ethyl]cyclopropyl]methyl]propan-2-amine
CID 106457015
1-(aminomethyl)-N-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
CID 106450883
1-(bromomethyl)-1-[2-(2-methylpropoxy)ethoxymethyl]cyclohexane
CID 106447437
[1-(4-methylpentyl)cyclopentyl]methanamine
CID 83169041

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-methylpropoxy)ethyl]cycloheptyl]methanamine?
The IUPAC name of [1-[2-(2-methylpropoxy)ethyl]cycloheptyl]methanamine (CID 106459323) is [1-[2-(2-methylpropoxy)ethyl]cycloheptyl]methanamine.
What is the SMILES notation for [1-[2-(2-methylpropoxy)ethyl]cycloheptyl]methanamine?
The canonical SMILES for [1-[2-(2-methylpropoxy)ethyl]cycloheptyl]methanamine is CC(C)COCCC1(CN)CCCCCC1.
What is the InChIKey of [1-[2-(2-methylpropoxy)ethyl]cycloheptyl]methanamine?
The InChIKey is VBAXBAYXYZUTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-13(2)11-16-10-9-14(12-15)7-5-3-4-6-8-14/h13H,3-12,15H2,1-2H3.
What are the key properties of [1-[2-(2-methylpropoxy)ethyl]cycloheptyl]methanamine?
[1-[2-(2-methylpropoxy)ethyl]cycloheptyl]methanamine has a molecular weight of 227.39 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-methylpropoxy)ethyl]cycloheptyl]methanamine is sourced from PubChem (CID 106459323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).