ethane;4-ethyl-N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine

C14H27NO — CID 142345469

IUPACethane;4-ethyl-N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine
SMILESCC.CCC1=CC=C(N(C)CCOC)CC1
InChIInChI=1S/C12H21NO.C2H6/c1-4-11-5-7-12(8-6-11)13(2)9-10-14-3;1-2/h5,7H,4,6,8-10H2,1-3H3;1-2H3
InChIKeySWHZNMMTBSAYIN-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.60
Rot. Bonds5

About ethane;4-ethyl-N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine

ethane;4-ethyl-N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine (PubChem CID 142345469) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is ethane;4-ethyl-N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Nameethane;4-ethyl-N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine
PubChem CID142345469
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Nameethane;4-ethyl-N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine
SMILESCC.CCC1=CC=C(N(C)CCOC)CC1
InChIInChI=1S/C12H21NO.C2H6/c1-4-11-5-7-12(8-6-11)13(2)9-10-14-3;1-2/h5,7H,4,6,8-10H2,1-3H3;1-2H3
InChIKeySWHZNMMTBSAYIN-UHFFFAOYSA-N
XLogP3.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine?
The IUPAC name of ethane;4-ethyl-N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine (CID 142345469) is ethane;4-ethyl-N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for ethane;4-ethyl-N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for ethane;4-ethyl-N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine is CC.CCC1=CC=C(N(C)CCOC)CC1.
What is the InChIKey of ethane;4-ethyl-N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine?
The InChIKey is SWHZNMMTBSAYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO.C2H6/c1-4-11-5-7-12(8-6-11)13(2)9-10-14-3;1-2/h5,7H,4,6,8-10H2,1-3H3;1-2H3.
What are the key properties of ethane;4-ethyl-N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine?
ethane;4-ethyl-N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 142345469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).