N,N-dimethyl-9-(4-methylpiperazin-1-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine

C22H27N3 — CID 3044276

IUPACN,N-dimethyl-9-(4-methylpiperazin-1-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine
SMILESCN1CCN(C2=Cc3ccccc3C(N(C)C)c3ccccc32)CC1
InChIInChI=1S/C22H27N3/c1-23(2)22-18-9-5-4-8-17(18)16-21(19-10-6-7-11-20(19)22)25-14-12-24(3)13-15-25/h4-11,16,22H,12-15H2,1-3H3
InChIKeyOPSXBPZMCINMFH-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.40
Rot. Bonds2

About N,N-dimethyl-9-(4-methylpiperazin-1-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine

N,N-dimethyl-9-(4-methylpiperazin-1-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine (PubChem CID 3044276) has the molecular formula C22H27N3 and a molecular weight of 333.48 g/mol. Its IUPAC name is N,N-dimethyl-9-(4-methylpiperazin-1-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-9-(4-methylpiperazin-1-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine
PubChem CID3044276
Molecular FormulaC22H27N3
Molecular Weight333.48 g/mol
Exact Mass333.22
IUPAC NameN,N-dimethyl-9-(4-methylpiperazin-1-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine
SMILESCN1CCN(C2=Cc3ccccc3C(N(C)C)c3ccccc32)CC1
InChIInChI=1S/C22H27N3/c1-23(2)22-18-9-5-4-8-17(18)16-21(19-10-6-7-11-20(19)22)25-14-12-24(3)13-15-25/h4-11,16,22H,12-15H2,1-3H3
InChIKeyOPSXBPZMCINMFH-UHFFFAOYSA-N
XLogP3.40
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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,N-dimethyl-9-(4-methylpiperazin-1-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine?
The IUPAC name of N,N-dimethyl-9-(4-methylpiperazin-1-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine (CID 3044276) is N,N-dimethyl-9-(4-methylpiperazin-1-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine.
What is the SMILES notation for N,N-dimethyl-9-(4-methylpiperazin-1-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine?
The canonical SMILES for N,N-dimethyl-9-(4-methylpiperazin-1-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine is CN1CCN(C2=Cc3ccccc3C(N(C)C)c3ccccc32)CC1.
What is the InChIKey of N,N-dimethyl-9-(4-methylpiperazin-1-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine?
The InChIKey is OPSXBPZMCINMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3/c1-23(2)22-18-9-5-4-8-17(18)16-21(19-10-6-7-11-20(19)22)25-14-12-24(3)13-15-25/h4-11,16,22H,12-15H2,1-3H3.
What are the key properties of N,N-dimethyl-9-(4-methylpiperazin-1-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine?
N,N-dimethyl-9-(4-methylpiperazin-1-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine has a molecular weight of 333.48 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-9-(4-methylpiperazin-1-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine is sourced from PubChem (CID 3044276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).