1-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-4-methylpentan-1-amine

C14H27NO — CID 103032021

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-4-methylpentan-1-amine
SMILESCOC(C)(C)CCC(N)C1CC2CCC1C2
InChIInChI=1S/C14H27NO/c1-14(2,16-3)7-6-13(15)12-9-10-4-5-11(12)8-10/h10-13H,4-9,15H2,1-3H3
InChIKeyUHNHKLWZZGOPOA-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.96
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-4-methylpentan-1-amine

1-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-4-methylpentan-1-amine (PubChem CID 103032021) 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)-4-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-4-methylpentan-1-amine
PubChem CID103032021
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-4-methylpentan-1-amine
SMILESCOC(C)(C)CCC(N)C1CC2CCC1C2
InChIInChI=1S/C14H27NO/c1-14(2,16-3)7-6-13(15)12-9-10-4-5-11(12)8-10/h10-13H,4-9,15H2,1-3H3
InChIKeyUHNHKLWZZGOPOA-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

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Related Compounds

4-methoxy-4-methyl-1-(2-methylcyclopropyl)pentan-1-amine
CID 103032155
4-methoxy-4-methyl-1-(2-phenylcyclopropyl)pentan-1-amine
CID 103031750
1-(3-ethylcyclopentyl)-4-methoxy-4-methylpentan-1-amine
CID 103035740
1-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylbutan-1-amine
CID 130494691
1-(2-adamantyl)-4-methoxy-4-methylpentan-1-ol
CID 103028317
1-cyclohexyl-5-methoxy-5-methylhexan-2-amine
CID 103031159
amino(2-bicyclo[2.2.1]heptanyl)methanol
CID 166969475
[(2S)-2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-2-methoxyethyl] acetate
CID 118564593
1-(2-bicyclo[2.2.1]heptanyl)-4-methoxybutan-1-ol
CID 114855056
2-(1-hydroperoxy-2,2-dimethylpropyl)bicyclo[2.2.1]heptane
CID 58636264
(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
CID 58921505
1-(2-bicyclo[2.2.1]heptanyl)-4-methoxybutan-2-amine
CID 79562664

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-4-methylpentan-1-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-4-methylpentan-1-amine (CID 103032021) is 1-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-4-methylpentan-1-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-4-methylpentan-1-amine is COC(C)(C)CCC(N)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-4-methylpentan-1-amine?
The InChIKey is UHNHKLWZZGOPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-14(2,16-3)7-6-13(15)12-9-10-4-5-11(12)8-10/h10-13H,4-9,15H2,1-3H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-4-methylpentan-1-amine?
1-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-4-methylpentan-1-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)-4-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 103032021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).