N-ethyl-N,N'-dimethyl-N'-[(7-methylcyclohepta-1,3,6-trien-1-yl)methyl]ethane-1,2-diamine

C15H26N2 — CID 130183557

IUPACN-ethyl-N,N'-dimethyl-N'-[(7-methylcyclohepta-1,3,6-trien-1-yl)methyl]ethane-1,2-diamine
SMILESCCN(C)CCN(C)CC1=CC=CCC=C1C
InChIInChI=1S/C15H26N2/c1-5-16(3)11-12-17(4)13-15-10-8-6-7-9-14(15)2/h6,8-10H,5,7,11-13H2,1-4H3
InChIKeyHPVLWJJVRUOOFX-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.70
Rot. Bonds6

About N-ethyl-N,N'-dimethyl-N'-[(7-methylcyclohepta-1,3,6-trien-1-yl)methyl]ethane-1,2-diamine

N-ethyl-N,N'-dimethyl-N'-[(7-methylcyclohepta-1,3,6-trien-1-yl)methyl]ethane-1,2-diamine (PubChem CID 130183557) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-ethyl-N,N'-dimethyl-N'-[(7-methylcyclohepta-1,3,6-trien-1-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N,N'-dimethyl-N'-[(7-methylcyclohepta-1,3,6-trien-1-yl)methyl]ethane-1,2-diamine
PubChem CID130183557
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-ethyl-N,N'-dimethyl-N'-[(7-methylcyclohepta-1,3,6-trien-1-yl)methyl]ethane-1,2-diamine
SMILESCCN(C)CCN(C)CC1=CC=CCC=C1C
InChIInChI=1S/C15H26N2/c1-5-16(3)11-12-17(4)13-15-10-8-6-7-9-14(15)2/h6,8-10H,5,7,11-13H2,1-4H3
InChIKeyHPVLWJJVRUOOFX-UHFFFAOYSA-N
XLogP2.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,N'-dimethyl-N'-[(7-methylcyclohepta-1,3,6-trien-1-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N-ethyl-N,N'-dimethyl-N'-[(7-methylcyclohepta-1,3,6-trien-1-yl)methyl]ethane-1,2-diamine (CID 130183557) is N-ethyl-N,N'-dimethyl-N'-[(7-methylcyclohepta-1,3,6-trien-1-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N,N'-dimethyl-N'-[(7-methylcyclohepta-1,3,6-trien-1-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N,N'-dimethyl-N'-[(7-methylcyclohepta-1,3,6-trien-1-yl)methyl]ethane-1,2-diamine is CCN(C)CCN(C)CC1=CC=CCC=C1C.
What is the InChIKey of N-ethyl-N,N'-dimethyl-N'-[(7-methylcyclohepta-1,3,6-trien-1-yl)methyl]ethane-1,2-diamine?
The InChIKey is HPVLWJJVRUOOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-16(3)11-12-17(4)13-15-10-8-6-7-9-14(15)2/h6,8-10H,5,7,11-13H2,1-4H3.
What are the key properties of N-ethyl-N,N'-dimethyl-N'-[(7-methylcyclohepta-1,3,6-trien-1-yl)methyl]ethane-1,2-diamine?
N-ethyl-N,N'-dimethyl-N'-[(7-methylcyclohepta-1,3,6-trien-1-yl)methyl]ethane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,N'-dimethyl-N'-[(7-methylcyclohepta-1,3,6-trien-1-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 130183557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).