N-ethyl-3-methyltricyclo[7.4.0.02,5]trideca-1(13),9,11-trien-4-amine

C16H23N — CID 81422444

IUPACN-ethyl-3-methyltricyclo[7.4.0.02,5]trideca-1(13),9,11-trien-4-amine
SMILESCCNC1C(C)C2c3ccccc3CCCC12
InChIInChI=1S/C16H23N/c1-3-17-16-11(2)15-13-9-5-4-7-12(13)8-6-10-14(15)16/h4-5,7,9,11,14-17H,3,6,8,10H2,1-2H3
InChIKeyGROXYXSPJKTQPT-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.35
Rot. Bonds2

About N-ethyl-3-methyltricyclo[7.4.0.02,5]trideca-1(13),9,11-trien-4-amine

N-ethyl-3-methyltricyclo[7.4.0.02,5]trideca-1(13),9,11-trien-4-amine (PubChem CID 81422444) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-ethyl-3-methyltricyclo[7.4.0.02,5]trideca-1(13),9,11-trien-4-amine.

Molecular Properties

Compound NameN-ethyl-3-methyltricyclo[7.4.0.02,5]trideca-1(13),9,11-trien-4-amine
PubChem CID81422444
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-ethyl-3-methyltricyclo[7.4.0.02,5]trideca-1(13),9,11-trien-4-amine
SMILESCCNC1C(C)C2c3ccccc3CCCC12
InChIInChI=1S/C16H23N/c1-3-17-16-11(2)15-13-9-5-4-7-12(13)8-6-10-14(15)16/h4-5,7,9,11,14-17H,3,6,8,10H2,1-2H3
InChIKeyGROXYXSPJKTQPT-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-ethyl-3-methyltricyclo[7.4.0.02,5]trideca-1(13),9,11-trien-4-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

N-ethyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-5-amine
CID 76985793
6-butyl-N-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63403512
N-ethyl-6-(2-methylpentyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63403421
5-N-ethyl-6-N,6-N-dipropyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 63466737
N-ethyl-6-(2-propoxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63686004
2,3-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine
CID 63772601
(2S,4R)-tricyclo[6.4.0.02,4]dodeca-1(12),8,10-triene-3-carboxylic acid
CID 21356022
5-N-ethyl-6-N-methyl-6-N-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 63983993
3-[[5-(ethylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]sulfanyl]propan-1-ol
CID 66128577
5-N-ethyl-6-N-methyl-6-N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 63469910
N-ethyl-6-(oxan-4-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62385719
N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide
CID 43400828

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyltricyclo[7.4.0.02,5]trideca-1(13),9,11-trien-4-amine?
The IUPAC name of N-ethyl-3-methyltricyclo[7.4.0.02,5]trideca-1(13),9,11-trien-4-amine (CID 81422444) is N-ethyl-3-methyltricyclo[7.4.0.02,5]trideca-1(13),9,11-trien-4-amine.
What is the SMILES notation for N-ethyl-3-methyltricyclo[7.4.0.02,5]trideca-1(13),9,11-trien-4-amine?
The canonical SMILES for N-ethyl-3-methyltricyclo[7.4.0.02,5]trideca-1(13),9,11-trien-4-amine is CCNC1C(C)C2c3ccccc3CCCC12.
What is the InChIKey of N-ethyl-3-methyltricyclo[7.4.0.02,5]trideca-1(13),9,11-trien-4-amine?
The InChIKey is GROXYXSPJKTQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-3-17-16-11(2)15-13-9-5-4-7-12(13)8-6-10-14(15)16/h4-5,7,9,11,14-17H,3,6,8,10H2,1-2H3.
What are the key properties of N-ethyl-3-methyltricyclo[7.4.0.02,5]trideca-1(13),9,11-trien-4-amine?
N-ethyl-3-methyltricyclo[7.4.0.02,5]trideca-1(13),9,11-trien-4-amine has a molecular weight of 229.37 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyltricyclo[7.4.0.02,5]trideca-1(13),9,11-trien-4-amine is sourced from PubChem (CID 81422444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).