1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methylbutan-2-amine

C14H27NO — CID 116726349

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methylbutan-2-amine
SMILESCCOC(C)(C)C(N)CC1CC2CCC1C2
InChIInChI=1S/C14H27NO/c1-4-16-14(2,3)13(15)9-12-8-10-5-6-11(12)7-10/h10-13H,4-9,15H2,1-3H3
InChIKeyDIIPBXOCZXPNTH-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.96
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methylbutan-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methylbutan-2-amine (PubChem CID 116726349) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methylbutan-2-amine
PubChem CID116726349
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methylbutan-2-amine
SMILESCCOC(C)(C)C(N)CC1CC2CCC1C2
InChIInChI=1S/C14H27NO/c1-4-16-14(2,3)13(15)9-12-8-10-5-6-11(12)7-10/h10-13H,4-9,15H2,1-3H3
InChIKeyDIIPBXOCZXPNTH-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methylpentan-2-amine
CID 116758629
1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxypropan-2-amine
CID 79562694
1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-amine
CID 79563499
1-(2-bicyclo[2.2.1]heptanyl)pentan-2-amine
CID 79557968
1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine
CID 116759433
1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-4,4-dimethylpentan-2-ol
CID 116713452
1-(2-bicyclo[2.2.1]heptanyl)-5-ethoxypentan-2-amine
CID 105167957
1-(2-bicyclo[2.2.1]heptanyl)-3-methoxypropan-2-amine
CID 79563160
1-(2-bicyclo[2.2.1]heptanyl)-2-methylpentan-3-amine
CID 79559608
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine
CID 79559439
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclobutylethanamine
CID 79562076
1-(2-bicyclo[2.2.1]heptanyl)-3,4-dimethylpentan-2-amine
CID 105012891

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methylbutan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methylbutan-2-amine (CID 116726349) is 1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methylbutan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methylbutan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methylbutan-2-amine is CCOC(C)(C)C(N)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methylbutan-2-amine?
The InChIKey is DIIPBXOCZXPNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-16-14(2,3)13(15)9-12-8-10-5-6-11(12)7-10/h10-13H,4-9,15H2,1-3H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methylbutan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methylbutan-2-amine has a molecular weight of 225.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methylbutan-2-amine is sourced from PubChem (CID 116726349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).