N'-[3-[4-(2,2-dimethylpropyl)morpholin-2-yl]-2,2-dimethylpropyl]-N'-ethyl-N-methylethane-1,2-diamine

C19H41N3O — CID 129179104

IUPACN'-[3-[4-(2,2-dimethylpropyl)morpholin-2-yl]-2,2-dimethylpropyl]-N'-ethyl-N-methylethane-1,2-diamine
SMILESCCN(CCNC)CC(C)(C)CC1CN(CC(C)(C)C)CCO1
InChIInChI=1S/C19H41N3O/c1-8-21(10-9-20-7)16-19(5,6)13-17-14-22(11-12-23-17)15-18(2,3)4/h17,20H,8-16H2,1-7H3
InChIKeyDOOGRWYJERWDDS-UHFFFAOYSA-N
MW327.56 g/mol
LogP2.69
Rot. Bonds9

About N'-[3-[4-(2,2-dimethylpropyl)morpholin-2-yl]-2,2-dimethylpropyl]-N'-ethyl-N-methylethane-1,2-diamine

N'-[3-[4-(2,2-dimethylpropyl)morpholin-2-yl]-2,2-dimethylpropyl]-N'-ethyl-N-methylethane-1,2-diamine (PubChem CID 129179104) has the molecular formula C19H41N3O and a molecular weight of 327.56 g/mol. Its IUPAC name is N'-[3-[4-(2,2-dimethylpropyl)morpholin-2-yl]-2,2-dimethylpropyl]-N'-ethyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-[4-(2,2-dimethylpropyl)morpholin-2-yl]-2,2-dimethylpropyl]-N'-ethyl-N-methylethane-1,2-diamine
PubChem CID129179104
Molecular FormulaC19H41N3O
Molecular Weight327.56 g/mol
Exact Mass327.32
IUPAC NameN'-[3-[4-(2,2-dimethylpropyl)morpholin-2-yl]-2,2-dimethylpropyl]-N'-ethyl-N-methylethane-1,2-diamine
SMILESCCN(CCNC)CC(C)(C)CC1CN(CC(C)(C)C)CCO1
InChIInChI=1S/C19H41N3O/c1-8-21(10-9-20-7)16-19(5,6)13-17-14-22(11-12-23-17)15-18(2,3)4/h17,20H,8-16H2,1-7H3
InChIKeyDOOGRWYJERWDDS-UHFFFAOYSA-N
XLogP2.69
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.56
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-[3-[4-(2,2-dimethylpropyl)morpholin-2-yl]-2,2-dimethylpropyl]-N'-ethyl-N-methylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[3-[4-(2,2-dimethylpropyl)morpholin-2-yl]-2,2-dimethylpropyl]-N'-ethyl-N-methylethane-1,2-diamine?
The IUPAC name of N'-[3-[4-(2,2-dimethylpropyl)morpholin-2-yl]-2,2-dimethylpropyl]-N'-ethyl-N-methylethane-1,2-diamine (CID 129179104) is N'-[3-[4-(2,2-dimethylpropyl)morpholin-2-yl]-2,2-dimethylpropyl]-N'-ethyl-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-[3-[4-(2,2-dimethylpropyl)morpholin-2-yl]-2,2-dimethylpropyl]-N'-ethyl-N-methylethane-1,2-diamine?
The canonical SMILES for N'-[3-[4-(2,2-dimethylpropyl)morpholin-2-yl]-2,2-dimethylpropyl]-N'-ethyl-N-methylethane-1,2-diamine is CCN(CCNC)CC(C)(C)CC1CN(CC(C)(C)C)CCO1.
What is the InChIKey of N'-[3-[4-(2,2-dimethylpropyl)morpholin-2-yl]-2,2-dimethylpropyl]-N'-ethyl-N-methylethane-1,2-diamine?
The InChIKey is DOOGRWYJERWDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N3O/c1-8-21(10-9-20-7)16-19(5,6)13-17-14-22(11-12-23-17)15-18(2,3)4/h17,20H,8-16H2,1-7H3.
What are the key properties of N'-[3-[4-(2,2-dimethylpropyl)morpholin-2-yl]-2,2-dimethylpropyl]-N'-ethyl-N-methylethane-1,2-diamine?
N'-[3-[4-(2,2-dimethylpropyl)morpholin-2-yl]-2,2-dimethylpropyl]-N'-ethyl-N-methylethane-1,2-diamine has a molecular weight of 327.56 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[4-(2,2-dimethylpropyl)morpholin-2-yl]-2,2-dimethylpropyl]-N'-ethyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 129179104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).