4-(azidomethyl)pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane

C15H21N3 — CID 59860945

IUPAC4-(azidomethyl)pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
SMILES[N-]=[N+]=NCC12CC3C4CC5CC3C(C1)C(C5)C4C2
InChIInChI=1S/C15H21N3/c16-18-17-7-15-4-12-9-1-8-2-10(12)14(6-15)11(3-8)13(9)5-15/h8-14H,1-7H2
InChIKeyGIJCHPHJYVAMQD-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.01
Rot. Bonds2

About 4-(azidomethyl)pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane

4-(azidomethyl)pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane (PubChem CID 59860945) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-(azidomethyl)pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane.

Molecular Properties

Compound Name4-(azidomethyl)pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
PubChem CID59860945
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name4-(azidomethyl)pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
SMILES[N-]=[N+]=NCC12CC3C4CC5CC3C(C1)C(C5)C4C2
InChIInChI=1S/C15H21N3/c16-18-17-7-15-4-12-9-1-8-2-10(12)14(6-15)11(3-8)13(9)5-15/h8-14H,1-7H2
InChIKeyGIJCHPHJYVAMQD-UHFFFAOYSA-N
XLogP4.01
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 4-(azidomethyl)pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane 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

4-(azidomethyl)-1-oxido-2,6,7-trioxa-1-phosphoniabicyclo[2.2.2]octane
CID 102119002
2-(azidomethyl)-2,3-dimethyloxirane
CID 118438961
1-(1-adamantylmethyl)-4-phenyltriazole;1-(azidomethyl)adamantane;ethynylbenzene
CID 157276917
4-(azidomethyl)oxan-4-ol
CID 15313358
N-(4-azidobutyl)adamantane-1-carboxamide
CID 106386481
1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]adamantane
CID 90013445
[(1R,2R)-2-(azidomethyl)-2-iodocyclopropyl]benzene
CID 10859519
methyl 1-(2-azidoethylamino)-3,5-dimethylcyclohexane-1-carboxylate
CID 66189232
ethane;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 91434011
2-(azidomethyl)-1,3-dioxolane
CID 19934523
2-(1-adamantylmethyl)guanidine;hydrochloride
CID 141469451
methyl 1-(azidomethyl)cyclopropane-1-carboxylate
CID 129243283

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The IUPAC name of 4-(azidomethyl)pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane (CID 59860945) is 4-(azidomethyl)pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane.
What is the SMILES notation for 4-(azidomethyl)pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The canonical SMILES for 4-(azidomethyl)pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane is [N-]=[N+]=NCC12CC3C4CC5CC3C(C1)C(C5)C4C2.
What is the InChIKey of 4-(azidomethyl)pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The InChIKey is GIJCHPHJYVAMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c16-18-17-7-15-4-12-9-1-8-2-10(12)14(6-15)11(3-8)13(9)5-15/h8-14H,1-7H2.
What are the key properties of 4-(azidomethyl)pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
4-(azidomethyl)pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane has a molecular weight of 243.35 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane is sourced from PubChem (CID 59860945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).