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

C18H20ClN — CID 172578340

IUPACN-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride
SMILESCC(C)NC1c2ccccc2C=Cc2ccccc21.Cl
InChIInChI=1S/C18H19N.ClH/c1-13(2)19-18-16-9-5-3-7-14(16)11-12-15-8-4-6-10-17(15)18;/h3-13,18-19H,1-2H3;1H
InChIKeyLEMNYLNCULRHCI-UHFFFAOYSA-N
MW285.82 g/mol
LogP4.68
Rot. Bonds2

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

N-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride (PubChem CID 172578340) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is N-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride.

Molecular Properties

Compound NameN-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride
PubChem CID172578340
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC NameN-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride
SMILESCC(C)NC1c2ccccc2C=Cc2ccccc21.Cl
InChIInChI=1S/C18H19N.ClH/c1-13(2)19-18-16-9-5-3-7-14(16)11-12-15-8-4-6-10-17(15)18;/h3-13,18-19H,1-2H3;1H
InChIKeyLEMNYLNCULRHCI-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.68
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-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride?
The IUPAC name of N-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride (CID 172578340) is N-propan-2-yltricyclo[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-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride?
The canonical SMILES for N-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride is CC(C)NC1c2ccccc2C=Cc2ccccc21.Cl.
What is the InChIKey of N-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride?
The InChIKey is LEMNYLNCULRHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N.ClH/c1-13(2)19-18-16-9-5-3-7-14(16)11-12-15-8-4-6-10-17(15)18;/h3-13,18-19H,1-2H3;1H.
What are the key properties of N-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride?
N-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride has a molecular weight of 285.82 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride is sourced from PubChem (CID 172578340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).