N-ethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride

C17H18ClN — CID 172578358

IUPACN-ethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride
SMILESCCNC1c2ccccc2C=Cc2ccccc21.Cl
InChIInChI=1S/C17H17N.ClH/c1-2-18-17-15-9-5-3-7-13(15)11-12-14-8-4-6-10-16(14)17;/h3-12,17-18H,2H2,1H3;1H
InChIKeyCDTDPXNVYLLZPI-UHFFFAOYSA-N
MW271.79 g/mol
LogP4.29
Rot. Bonds2

About N-ethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride

N-ethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride (PubChem CID 172578358) has the molecular formula C17H18ClN and a molecular weight of 271.79 g/mol. Its IUPAC name is N-ethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride.

Molecular Properties

Compound NameN-ethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride
PubChem CID172578358
Molecular FormulaC17H18ClN
Molecular Weight271.79 g/mol
Exact Mass271.11
IUPAC NameN-ethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride
SMILESCCNC1c2ccccc2C=Cc2ccccc21.Cl
InChIInChI=1S/C17H17N.ClH/c1-2-18-17-15-9-5-3-7-13(15)11-12-14-8-4-6-10-16(14)17;/h3-12,17-18H,2H2,1H3;1H
InChIKeyCDTDPXNVYLLZPI-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride?
The IUPAC name of N-ethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride (CID 172578358) is N-ethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride.
What is the SMILES notation for N-ethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride?
The canonical SMILES for N-ethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride is CCNC1c2ccccc2C=Cc2ccccc21.Cl.
What is the InChIKey of N-ethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride?
The InChIKey is CDTDPXNVYLLZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N.ClH/c1-2-18-17-15-9-5-3-7-13(15)11-12-14-8-4-6-10-16(14)17;/h3-12,17-18H,2H2,1H3;1H.
What are the key properties of N-ethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride?
N-ethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride has a molecular weight of 271.79 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride is sourced from PubChem (CID 172578358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).