1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbut-3-en-2-amine

C13H23N — CID 105005129

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbut-3-en-2-amine
SMILESC=C(C)C(CC1CC2CCC1C2)NC
InChIInChI=1S/C13H23N/c1-9(2)13(14-3)8-12-7-10-4-5-11(12)6-10/h10-14H,1,4-8H2,2-3H3
InChIKeyYUWOXKBMQRWGLK-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.98
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbut-3-en-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbut-3-en-2-amine (PubChem CID 105005129) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbut-3-en-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbut-3-en-2-amine
PubChem CID105005129
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbut-3-en-2-amine
SMILESC=C(C)C(CC1CC2CCC1C2)NC
InChIInChI=1S/C13H23N/c1-9(2)13(14-3)8-12-7-10-4-5-11(12)6-10/h10-14H,1,4-8H2,2-3H3
InChIKeyYUWOXKBMQRWGLK-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-4-methylidenehexan-2-amine
CID 105005765
4-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine
CID 79558705
1-(2-bicyclo[2.2.1]heptanyl)-3-methoxy-N-methylpropan-2-amine
CID 79563312
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine
CID 107004762
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-4-methylsulfanylbutan-2-amine
CID 105167964
1-(2-bicyclo[2.2.1]heptanyl)-3-(cyclopropylamino)propan-2-ol
CID 79550906
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
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopropylethanol
CID 79557935
1-(2-bicyclo[2.2.1]heptanyl)-3-(ethylamino)propan-2-ol
CID 79550552
1-(2-bicyclo[2.2.1]heptanyl)-4-methyl-N-propylpent-3-en-2-amine
CID 105004806
2,3-bis(2-bicyclo[2.2.1]heptanylmethyl)butanedioic acid
CID 151505965

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbut-3-en-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbut-3-en-2-amine (CID 105005129) is 1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbut-3-en-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbut-3-en-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbut-3-en-2-amine is C=C(C)C(CC1CC2CCC1C2)NC.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbut-3-en-2-amine?
The InChIKey is YUWOXKBMQRWGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-9(2)13(14-3)8-12-7-10-4-5-11(12)6-10/h10-14H,1,4-8H2,2-3H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbut-3-en-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbut-3-en-2-amine has a molecular weight of 193.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbut-3-en-2-amine is sourced from PubChem (CID 105005129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).