2-(3-ethoxypropyl)cycloheptan-1-amine

C12H25NO — CID 65180588

IUPAC2-(3-ethoxypropyl)cycloheptan-1-amine
SMILESCCOCCCC1CCCCCC1N
InChIInChI=1S/C12H25NO/c1-2-14-10-6-8-11-7-4-3-5-9-12(11)13/h11-12H,2-10,13H2,1H3
InChIKeyZPCOHFFNTKKFIM-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.71
Rot. Bonds5

About 2-(3-ethoxypropyl)cycloheptan-1-amine

2-(3-ethoxypropyl)cycloheptan-1-amine (PubChem CID 65180588) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-(3-ethoxypropyl)cycloheptan-1-amine.

Molecular Properties

Compound Name2-(3-ethoxypropyl)cycloheptan-1-amine
PubChem CID65180588
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-(3-ethoxypropyl)cycloheptan-1-amine
SMILESCCOCCCC1CCCCCC1N
InChIInChI=1S/C12H25NO/c1-2-14-10-6-8-11-7-4-3-5-9-12(11)13/h11-12H,2-10,13H2,1H3
InChIKeyZPCOHFFNTKKFIM-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
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

2-[3-(2-methoxyethoxy)propyl]cyclohexan-1-amine
CID 103410699
2-pentylcyclohexan-1-amine
CID 23132313
2-(ethoxymethyl)cyclohexan-1-amine
CID 79568761
2-[2-[bis(2-ethoxyethyl)amino]ethyl]cyclopentan-1-amine
CID 82965281
2-heptylcyclohexan-1-amine
CID 23132318
2-dodecylcyclohexan-1-amine
CID 63400047
2-[2-[2-ethoxyethyl(ethyl)amino]ethyl]cyclopentan-1-amine
CID 79566140
2-[3-(dimethylamino)propyl]cycloheptan-1-amine
CID 82398042
2-(3-ethoxypropyl)-N-propylcyclohexan-1-amine
CID 65180373
trans-(1S,2R)-2-octylcyclopentan-1-amine
CID 97292499
2-(2-ethoxyethoxy)cyclohexan-1-amine
CID 43183919
2-(2-aminocyclohexyl)-N,N-bis(2-ethoxyethyl)acetamide
CID 82940425

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropyl)cycloheptan-1-amine?
The IUPAC name of 2-(3-ethoxypropyl)cycloheptan-1-amine (CID 65180588) is 2-(3-ethoxypropyl)cycloheptan-1-amine.
What is the SMILES notation for 2-(3-ethoxypropyl)cycloheptan-1-amine?
The canonical SMILES for 2-(3-ethoxypropyl)cycloheptan-1-amine is CCOCCCC1CCCCCC1N.
What is the InChIKey of 2-(3-ethoxypropyl)cycloheptan-1-amine?
The InChIKey is ZPCOHFFNTKKFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-2-14-10-6-8-11-7-4-3-5-9-12(11)13/h11-12H,2-10,13H2,1H3.
What are the key properties of 2-(3-ethoxypropyl)cycloheptan-1-amine?
2-(3-ethoxypropyl)cycloheptan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropyl)cycloheptan-1-amine is sourced from PubChem (CID 65180588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).