N,N-dimethyl-3-(12-tricyclo[9.2.2.14,8]hexadeca-1(13),4(16),5,7,11,14-hexaenyl)propan-1-amine

C21H27N — CID 170865439

IUPACN,N-dimethyl-3-(12-tricyclo[9.2.2.14,8]hexadeca-1(13),4(16),5,7,11,14-hexaenyl)propan-1-amine
SMILESCN(C)CCCc1cc2ccc1CCc1cccc(c1)CC2
InChIInChI=1S/C21H27N/c1-22(2)14-4-7-21-16-19-9-8-17-5-3-6-18(15-17)10-12-20(21)13-11-19/h3,5-6,11,13,15-16H,4,7-10,12,14H2,1-2H3
InChIKeyBUPSRKZDJOEDHB-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.06
Rot. Bonds4

About N,N-dimethyl-3-(12-tricyclo[9.2.2.14,8]hexadeca-1(13),4(16),5,7,11,14-hexaenyl)propan-1-amine

N,N-dimethyl-3-(12-tricyclo[9.2.2.14,8]hexadeca-1(13),4(16),5,7,11,14-hexaenyl)propan-1-amine (PubChem CID 170865439) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is N,N-dimethyl-3-(12-tricyclo[9.2.2.14,8]hexadeca-1(13),4(16),5,7,11,14-hexaenyl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(12-tricyclo[9.2.2.14,8]hexadeca-1(13),4(16),5,7,11,14-hexaenyl)propan-1-amine
PubChem CID170865439
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC NameN,N-dimethyl-3-(12-tricyclo[9.2.2.14,8]hexadeca-1(13),4(16),5,7,11,14-hexaenyl)propan-1-amine
SMILESCN(C)CCCc1cc2ccc1CCc1cccc(c1)CC2
InChIInChI=1S/C21H27N/c1-22(2)14-4-7-21-16-19-9-8-17-5-3-6-18(15-17)10-12-20(21)13-11-19/h3,5-6,11,13,15-16H,4,7-10,12,14H2,1-2H3
InChIKeyBUPSRKZDJOEDHB-UHFFFAOYSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-dimethyl-3-(12-tricyclo[9.2.2.14,8]hexadeca-1(13),4(16),5,7,11,14-hexaenyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(12-tricyclo[9.2.2.14,8]hexadeca-1(13),4(16),5,7,11,14-hexaenyl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(12-tricyclo[9.2.2.14,8]hexadeca-1(13),4(16),5,7,11,14-hexaenyl)propan-1-amine (CID 170865439) is N,N-dimethyl-3-(12-tricyclo[9.2.2.14,8]hexadeca-1(13),4(16),5,7,11,14-hexaenyl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(12-tricyclo[9.2.2.14,8]hexadeca-1(13),4(16),5,7,11,14-hexaenyl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(12-tricyclo[9.2.2.14,8]hexadeca-1(13),4(16),5,7,11,14-hexaenyl)propan-1-amine is CN(C)CCCc1cc2ccc1CCc1cccc(c1)CC2.
What is the InChIKey of N,N-dimethyl-3-(12-tricyclo[9.2.2.14,8]hexadeca-1(13),4(16),5,7,11,14-hexaenyl)propan-1-amine?
The InChIKey is BUPSRKZDJOEDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N/c1-22(2)14-4-7-21-16-19-9-8-17-5-3-6-18(15-17)10-12-20(21)13-11-19/h3,5-6,11,13,15-16H,4,7-10,12,14H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(12-tricyclo[9.2.2.14,8]hexadeca-1(13),4(16),5,7,11,14-hexaenyl)propan-1-amine?
N,N-dimethyl-3-(12-tricyclo[9.2.2.14,8]hexadeca-1(13),4(16),5,7,11,14-hexaenyl)propan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(12-tricyclo[9.2.2.14,8]hexadeca-1(13),4(16),5,7,11,14-hexaenyl)propan-1-amine is sourced from PubChem (CID 170865439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).