N-(2,4,4-trimethylpentan-2-yl)morpholin-4-amine

C12H26N2O — CID 141282810

IUPACN-(2,4,4-trimethylpentan-2-yl)morpholin-4-amine
SMILESCC(C)(C)CC(C)(C)NN1CCOCC1
InChIInChI=1S/C12H26N2O/c1-11(2,3)10-12(4,5)13-14-6-8-15-9-7-14/h13H,6-10H2,1-5H3
InChIKeyJVURROKGHQPOFR-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.04
Rot. Bonds3

About N-(2,4,4-trimethylpentan-2-yl)morpholin-4-amine

N-(2,4,4-trimethylpentan-2-yl)morpholin-4-amine (PubChem CID 141282810) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-(2,4,4-trimethylpentan-2-yl)morpholin-4-amine.

Molecular Properties

Compound NameN-(2,4,4-trimethylpentan-2-yl)morpholin-4-amine
PubChem CID141282810
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-(2,4,4-trimethylpentan-2-yl)morpholin-4-amine
SMILESCC(C)(C)CC(C)(C)NN1CCOCC1
InChIInChI=1S/C12H26N2O/c1-11(2,3)10-12(4,5)13-14-6-8-15-9-7-14/h13H,6-10H2,1-5H3
InChIKeyJVURROKGHQPOFR-UHFFFAOYSA-N
XLogP2.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4,4-trimethylpentan-2-yl)morpholin-4-amine?
The IUPAC name of N-(2,4,4-trimethylpentan-2-yl)morpholin-4-amine (CID 141282810) is N-(2,4,4-trimethylpentan-2-yl)morpholin-4-amine.
What is the SMILES notation for N-(2,4,4-trimethylpentan-2-yl)morpholin-4-amine?
The canonical SMILES for N-(2,4,4-trimethylpentan-2-yl)morpholin-4-amine is CC(C)(C)CC(C)(C)NN1CCOCC1.
What is the InChIKey of N-(2,4,4-trimethylpentan-2-yl)morpholin-4-amine?
The InChIKey is JVURROKGHQPOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-11(2,3)10-12(4,5)13-14-6-8-15-9-7-14/h13H,6-10H2,1-5H3.
What are the key properties of N-(2,4,4-trimethylpentan-2-yl)morpholin-4-amine?
N-(2,4,4-trimethylpentan-2-yl)morpholin-4-amine has a molecular weight of 214.35 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,4-trimethylpentan-2-yl)morpholin-4-amine is sourced from PubChem (CID 141282810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).