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

C15H29NO — CID 116758629

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methylpentan-2-amine
SMILESCCOC(C)(CC)C(N)CC1CC2CCC1C2
InChIInChI=1S/C15H29NO/c1-4-15(3,17-5-2)14(16)10-13-9-11-6-7-12(13)8-11/h11-14H,4-10,16H2,1-3H3
InChIKeyWVVKDGQUCXUVFZ-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.35
Rot. Bonds6

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

1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methylpentan-2-amine (PubChem CID 116758629) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methylpentan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methylpentan-2-amine
PubChem CID116758629
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methylpentan-2-amine
SMILESCCOC(C)(CC)C(N)CC1CC2CCC1C2
InChIInChI=1S/C15H29NO/c1-4-15(3,17-5-2)14(16)10-13-9-11-6-7-12(13)8-11/h11-14H,4-10,16H2,1-3H3
InChIKeyWVVKDGQUCXUVFZ-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methylbutan-2-amine
CID 116726349
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-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-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]heptanylmethoxy)-2-methylbutan-1-amine
CID 79554997
[1-(2-bicyclo[2.2.1]heptanyl)-3-ethyl-3-methoxypentan-2-yl]hydrazine
CID 105275575
2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutan-1-ol
CID 79550101

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methylpentan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methylpentan-2-amine (CID 116758629) is 1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methylpentan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methylpentan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methylpentan-2-amine is CCOC(C)(CC)C(N)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methylpentan-2-amine?
The InChIKey is WVVKDGQUCXUVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-4-15(3,17-5-2)14(16)10-13-9-11-6-7-12(13)8-11/h11-14H,4-10,16H2,1-3H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methylpentan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methylpentan-2-amine has a molecular weight of 239.40 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-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methylpentan-2-amine is sourced from PubChem (CID 116758629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).