4-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine

C13H25N — CID 79558705

IUPAC4-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine
SMILESCNC(C)C(C)CC1CC2CCC1C2
InChIInChI=1S/C13H25N/c1-9(10(2)14-3)6-13-8-11-4-5-12(13)7-11/h9-14H,4-8H2,1-3H3
InChIKeyHPHLXEGCPKZVNE-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.06
Rot. Bonds4

About 4-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine

4-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine (PubChem CID 79558705) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine
PubChem CID79558705
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name4-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine
SMILESCNC(C)C(C)CC1CC2CCC1C2
InChIInChI=1S/C13H25N/c1-9(10(2)14-3)6-13-8-11-4-5-12(13)7-11/h9-14H,4-8H2,1-3H3
InChIKeyHPHLXEGCPKZVNE-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine with MolForge

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-2-methylpentan-3-amine
CID 79559608
1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbut-3-en-2-amine
CID 105005129
1-(2-bicyclo[2.2.1]heptanyl)-3-methoxy-N-methylpropan-2-amine
CID 79563312
3-(2-bicyclo[2.2.1]heptanyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 79563243
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine
CID 107004762
1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanyl-N-methylpropan-2-amine
CID 79562229
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-4-methylsulfanylbutan-2-amine
CID 105167964
3-(azepan-1-yl)-1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine
CID 79561099
1-(2-bicyclo[2.2.1]heptanyl)-N-methylundecan-2-amine
CID 115831312
1-(2-bicyclo[2.2.1]heptanyl)-N-methyloctan-2-amine
CID 115833241
1-(2-bicyclo[2.2.1]heptanyl)-3,4-dimethylpentan-2-amine
CID 105012891
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-4-methylidenehexan-2-amine
CID 105005765

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine?
The IUPAC name of 4-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine (CID 79558705) is 4-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine?
The canonical SMILES for 4-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine is CNC(C)C(C)CC1CC2CCC1C2.
What is the InChIKey of 4-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine?
The InChIKey is HPHLXEGCPKZVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-9(10(2)14-3)6-13-8-11-4-5-12(13)7-11/h9-14H,4-8H2,1-3H3.
What are the key properties of 4-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine?
4-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine has a molecular weight of 195.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 79558705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).