N,N-diethyl-N'-[2-(3-methylcyclohepta-2,4,6-trien-1-yl)ethyl]-N'-propylpropane-1,3-diamine

C20H36N2 — CID 155375560

IUPACN,N-diethyl-N'-[2-(3-methylcyclohepta-2,4,6-trien-1-yl)ethyl]-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCN(CC)CC)CCC1C=CC=CC(C)=C1
InChIInChI=1S/C20H36N2/c1-5-14-22(16-10-15-21(6-2)7-3)17-13-20-12-9-8-11-19(4)18-20/h8-9,11-12,18,20H,5-7,10,13-17H2,1-4H3
InChIKeyYLSHWWPNCAODDK-UHFFFAOYSA-N
MW304.52 g/mol
LogP4.51
Rot. Bonds11

About N,N-diethyl-N'-[2-(3-methylcyclohepta-2,4,6-trien-1-yl)ethyl]-N'-propylpropane-1,3-diamine

N,N-diethyl-N'-[2-(3-methylcyclohepta-2,4,6-trien-1-yl)ethyl]-N'-propylpropane-1,3-diamine (PubChem CID 155375560) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is N,N-diethyl-N'-[2-(3-methylcyclohepta-2,4,6-trien-1-yl)ethyl]-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N-diethyl-N'-[2-(3-methylcyclohepta-2,4,6-trien-1-yl)ethyl]-N'-propylpropane-1,3-diamine
PubChem CID155375560
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC NameN,N-diethyl-N'-[2-(3-methylcyclohepta-2,4,6-trien-1-yl)ethyl]-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCN(CC)CC)CCC1C=CC=CC(C)=C1
InChIInChI=1S/C20H36N2/c1-5-14-22(16-10-15-21(6-2)7-3)17-13-20-12-9-8-11-19(4)18-20/h8-9,11-12,18,20H,5-7,10,13-17H2,1-4H3
InChIKeyYLSHWWPNCAODDK-UHFFFAOYSA-N
XLogP4.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.52
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-N'-[2-(3-methylcyclohepta-2,4,6-trien-1-yl)ethyl]-N'-propylpropane-1,3-diamine?
The IUPAC name of N,N-diethyl-N'-[2-(3-methylcyclohepta-2,4,6-trien-1-yl)ethyl]-N'-propylpropane-1,3-diamine (CID 155375560) is N,N-diethyl-N'-[2-(3-methylcyclohepta-2,4,6-trien-1-yl)ethyl]-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N,N-diethyl-N'-[2-(3-methylcyclohepta-2,4,6-trien-1-yl)ethyl]-N'-propylpropane-1,3-diamine?
The canonical SMILES for N,N-diethyl-N'-[2-(3-methylcyclohepta-2,4,6-trien-1-yl)ethyl]-N'-propylpropane-1,3-diamine is CCCN(CCCN(CC)CC)CCC1C=CC=CC(C)=C1.
What is the InChIKey of N,N-diethyl-N'-[2-(3-methylcyclohepta-2,4,6-trien-1-yl)ethyl]-N'-propylpropane-1,3-diamine?
The InChIKey is YLSHWWPNCAODDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2/c1-5-14-22(16-10-15-21(6-2)7-3)17-13-20-12-9-8-11-19(4)18-20/h8-9,11-12,18,20H,5-7,10,13-17H2,1-4H3.
What are the key properties of N,N-diethyl-N'-[2-(3-methylcyclohepta-2,4,6-trien-1-yl)ethyl]-N'-propylpropane-1,3-diamine?
N,N-diethyl-N'-[2-(3-methylcyclohepta-2,4,6-trien-1-yl)ethyl]-N'-propylpropane-1,3-diamine has a molecular weight of 304.52 g/mol, XLogP of 4.51, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-N'-[2-(3-methylcyclohepta-2,4,6-trien-1-yl)ethyl]-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 155375560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).