N,N-dimethyl-3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine

C20H23N — CID 12507139

IUPACN,N-dimethyl-3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine
SMILESCN(C)CCCC12CC(c3ccccc31)c1ccccc12
InChIInChI=1S/C20H23N/c1-21(2)13-7-12-20-14-17(15-8-3-5-10-18(15)20)16-9-4-6-11-19(16)20/h3-6,8-11,17H,7,12-14H2,1-2H3
InChIKeyFVAXNOPTPCVRSA-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.16
Rot. Bonds4

About N,N-dimethyl-3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine

N,N-dimethyl-3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine (PubChem CID 12507139) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is N,N-dimethyl-3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine
PubChem CID12507139
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC NameN,N-dimethyl-3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine
SMILESCN(C)CCCC12CC(c3ccccc31)c1ccccc12
InChIInChI=1S/C20H23N/c1-21(2)13-7-12-20-14-17(15-8-3-5-10-18(15)20)16-9-4-6-11-19(16)20/h3-6,8-11,17H,7,12-14H2,1-2H3
InChIKeyFVAXNOPTPCVRSA-UHFFFAOYSA-N
XLogP4.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine (CID 12507139) is N,N-dimethyl-3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine is CN(C)CCCC12CC(c3ccccc31)c1ccccc12.
What is the InChIKey of N,N-dimethyl-3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine?
The InChIKey is FVAXNOPTPCVRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c1-21(2)13-7-12-20-14-17(15-8-3-5-10-18(15)20)16-9-4-6-11-19(16)20/h3-6,8-11,17H,7,12-14H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine?
N,N-dimethyl-3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 4.16, 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-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine is sourced from PubChem (CID 12507139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).