2-methyl-1-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]propan-2-ol

C12H21NO — CID 139317796

IUPAC2-methyl-1-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]propan-2-ol
SMILESCC1=CC=C(N(C)CC(C)(C)O)CC1
InChIInChI=1S/C12H21NO/c1-10-5-7-11(8-6-10)13(4)9-12(2,3)14/h5,7,14H,6,8-9H2,1-4H3
InChIKeyWZLLZKSVOUCUIE-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.31
Rot. Bonds3

About 2-methyl-1-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]propan-2-ol

2-methyl-1-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]propan-2-ol (PubChem CID 139317796) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-methyl-1-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]propan-2-ol
PubChem CID139317796
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-methyl-1-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]propan-2-ol
SMILESCC1=CC=C(N(C)CC(C)(C)O)CC1
InChIInChI=1S/C12H21NO/c1-10-5-7-11(8-6-10)13(4)9-12(2,3)14/h5,7,14H,6,8-9H2,1-4H3
InChIKeyWZLLZKSVOUCUIE-UHFFFAOYSA-N
XLogP2.31
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]propan-2-ol (CID 139317796) is 2-methyl-1-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]propan-2-ol is CC1=CC=C(N(C)CC(C)(C)O)CC1.
What is the InChIKey of 2-methyl-1-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]propan-2-ol?
The InChIKey is WZLLZKSVOUCUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10-5-7-11(8-6-10)13(4)9-12(2,3)14/h5,7,14H,6,8-9H2,1-4H3.
What are the key properties of 2-methyl-1-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]propan-2-ol?
2-methyl-1-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]propan-2-ol has a molecular weight of 195.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]propan-2-ol is sourced from PubChem (CID 139317796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).