N,N,N'-trimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine

C12H22N2 — CID 88991198

IUPACN,N,N'-trimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine
SMILESCC1=CC=C(N(C)CCN(C)C)CC1
InChIInChI=1S/C12H22N2/c1-11-5-7-12(8-6-11)14(4)10-9-13(2)3/h5,7H,6,8-10H2,1-4H3
InChIKeyMEBMQCMUKBKUCI-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.10
Rot. Bonds4

About N,N,N'-trimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine

N,N,N'-trimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine (PubChem CID 88991198) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine
PubChem CID88991198
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN,N,N'-trimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine
SMILESCC1=CC=C(N(C)CCN(C)C)CC1
InChIInChI=1S/C12H22N2/c1-11-5-7-12(8-6-11)14(4)10-9-13(2)3/h5,7H,6,8-10H2,1-4H3
InChIKeyMEBMQCMUKBKUCI-UHFFFAOYSA-N
XLogP2.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine (CID 88991198) is N,N,N'-trimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine is CC1=CC=C(N(C)CCN(C)C)CC1.
What is the InChIKey of N,N,N'-trimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine?
The InChIKey is MEBMQCMUKBKUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-11-5-7-12(8-6-11)14(4)10-9-13(2)3/h5,7H,6,8-10H2,1-4H3.
What are the key properties of N,N,N'-trimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine?
N,N,N'-trimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine has a molecular weight of 194.32 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 88991198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).