N',N'-diethyl-N-[1-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]ethane-1,2-diamine

C15H26N2 — CID 89337015

IUPACN',N'-diethyl-N-[1-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]ethane-1,2-diamine
SMILESC=C(NCCN(CC)CC)C1=CCC(C)C=C1
InChIInChI=1S/C15H26N2/c1-5-17(6-2)12-11-16-14(4)15-9-7-13(3)8-10-15/h7,9-10,13,16H,4-6,8,11-12H2,1-3H3
InChIKeyXMBHXRQNTQSXSS-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.95
Rot. Bonds7

About N',N'-diethyl-N-[1-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]ethane-1,2-diamine

N',N'-diethyl-N-[1-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]ethane-1,2-diamine (PubChem CID 89337015) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N',N'-diethyl-N-[1-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[1-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]ethane-1,2-diamine
PubChem CID89337015
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN',N'-diethyl-N-[1-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]ethane-1,2-diamine
SMILESC=C(NCCN(CC)CC)C1=CCC(C)C=C1
InChIInChI=1S/C15H26N2/c1-5-17(6-2)12-11-16-14(4)15-9-7-13(3)8-10-15/h7,9-10,13,16H,4-6,8,11-12H2,1-3H3
InChIKeyXMBHXRQNTQSXSS-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[1-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[1-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]ethane-1,2-diamine (CID 89337015) is N',N'-diethyl-N-[1-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[1-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[1-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]ethane-1,2-diamine is C=C(NCCN(CC)CC)C1=CCC(C)C=C1.
What is the InChIKey of N',N'-diethyl-N-[1-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]ethane-1,2-diamine?
The InChIKey is XMBHXRQNTQSXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-17(6-2)12-11-16-14(4)15-9-7-13(3)8-10-15/h7,9-10,13,16H,4-6,8,11-12H2,1-3H3.
What are the key properties of N',N'-diethyl-N-[1-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]ethane-1,2-diamine?
N',N'-diethyl-N-[1-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]ethane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[1-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]ethane-1,2-diamine is sourced from PubChem (CID 89337015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).