1-(2-bicyclo[2.2.1]heptanyl)-N-ethylpent-4-yn-2-amine

C14H23N — CID 114977789

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-ethylpent-4-yn-2-amine
SMILESC#CCC(CC1CC2CCC1C2)NCC
InChIInChI=1S/C14H23N/c1-3-5-14(15-4-2)10-13-9-11-6-7-12(13)8-11/h1,11-15H,4-10H2,2H3
InChIKeyZQNOCKFJARMEHX-UHFFFAOYSA-N
MW205.34 g/mol
LogP2.81
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]heptanyl)-N-ethylpent-4-yn-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-N-ethylpent-4-yn-2-amine (PubChem CID 114977789) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-ethylpent-4-yn-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-ethylpent-4-yn-2-amine
PubChem CID114977789
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-ethylpent-4-yn-2-amine
SMILESC#CCC(CC1CC2CCC1C2)NCC
InChIInChI=1S/C14H23N/c1-3-5-14(15-4-2)10-13-9-11-6-7-12(13)8-11/h1,11-15H,4-10H2,2H3
InChIKeyZQNOCKFJARMEHX-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-N-ethylpent-4-yn-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)-N-ethyl-3-methoxypropan-2-amine
CID 79563313
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,5-dimethylhexan-2-amine
CID 115850124
4-(2-bicyclo[2.2.1]heptanyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine
CID 113291286
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylheptan-2-amine
CID 115845637
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine
CID 115864331
1-cyclohexyl-N-ethylpent-4-yn-2-amine
CID 114977293
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bicyclo[3.1.0]hexanyl)-N-ethylethanamine
CID 105012693
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-methylphenyl)sulfanylpropan-2-amine
CID 79562228
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclooctyl-N-ethylethanamine
CID 80603053
1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chloro-2-fluorophenyl)-N-ethylpropan-2-amine
CID 82787851
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,5-dimethylcyclohexyl)-N-ethylethanamine
CID 104988995
3-(2-bicyclo[2.2.1]heptanyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 79563243

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethylpent-4-yn-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethylpent-4-yn-2-amine (CID 114977789) is 1-(2-bicyclo[2.2.1]heptanyl)-N-ethylpent-4-yn-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-ethylpent-4-yn-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-ethylpent-4-yn-2-amine is C#CCC(CC1CC2CCC1C2)NCC.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethylpent-4-yn-2-amine?
The InChIKey is ZQNOCKFJARMEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-3-5-14(15-4-2)10-13-9-11-6-7-12(13)8-11/h1,11-15H,4-10H2,2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethylpent-4-yn-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-N-ethylpent-4-yn-2-amine has a molecular weight of 205.34 g/mol, XLogP of 2.81, 5 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-ethylpent-4-yn-2-amine is sourced from PubChem (CID 114977789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).