2-N-[1-[4-(2-amino-2-methylpropyl)morpholin-2-yl]-2,2,2-trifluoroethyl]-4-N-tert-butyl-2-methylpentane-2,4-diamine

C20H41F3N4O — CID 138659084

IUPAC2-N-[1-[4-(2-amino-2-methylpropyl)morpholin-2-yl]-2,2,2-trifluoroethyl]-4-N-tert-butyl-2-methylpentane-2,4-diamine
SMILESCC(CC(C)(C)NC(C1CN(CC(C)(C)N)CCO1)C(F)(F)F)NC(C)(C)C
InChIInChI=1S/C20H41F3N4O/c1-14(25-17(2,3)4)11-19(7,8)26-16(20(21,22)23)15-12-27(9-10-28-15)13-18(5,6)24/h14-16,25-26H,9-13,24H2,1-8H3
InChIKeyAQWKWIWUIAXSKV-UHFFFAOYSA-N
MW410.57 g/mol
LogP2.89
Rot. Bonds8

About 2-N-[1-[4-(2-amino-2-methylpropyl)morpholin-2-yl]-2,2,2-trifluoroethyl]-4-N-tert-butyl-2-methylpentane-2,4-diamine

2-N-[1-[4-(2-amino-2-methylpropyl)morpholin-2-yl]-2,2,2-trifluoroethyl]-4-N-tert-butyl-2-methylpentane-2,4-diamine (PubChem CID 138659084) has the molecular formula C20H41F3N4O and a molecular weight of 410.57 g/mol. Its IUPAC name is 2-N-[1-[4-(2-amino-2-methylpropyl)morpholin-2-yl]-2,2,2-trifluoroethyl]-4-N-tert-butyl-2-methylpentane-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-[4-(2-amino-2-methylpropyl)morpholin-2-yl]-2,2,2-trifluoroethyl]-4-N-tert-butyl-2-methylpentane-2,4-diamine
PubChem CID138659084
Molecular FormulaC20H41F3N4O
Molecular Weight410.57 g/mol
Exact Mass410.32
IUPAC Name2-N-[1-[4-(2-amino-2-methylpropyl)morpholin-2-yl]-2,2,2-trifluoroethyl]-4-N-tert-butyl-2-methylpentane-2,4-diamine
SMILESCC(CC(C)(C)NC(C1CN(CC(C)(C)N)CCO1)C(F)(F)F)NC(C)(C)C
InChIInChI=1S/C20H41F3N4O/c1-14(25-17(2,3)4)11-19(7,8)26-16(20(21,22)23)15-12-27(9-10-28-15)13-18(5,6)24/h14-16,25-26H,9-13,24H2,1-8H3
InChIKeyAQWKWIWUIAXSKV-UHFFFAOYSA-N
XLogP2.89
TPSA62.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.57
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-N-[1-[4-(2-amino-2-methylpropyl)morpholin-2-yl]-2,2,2-trifluoroethyl]-4-N-tert-butyl-2-methylpentane-2,4-diamine with MolForge

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Related Compounds

2-methyl-1-(2-propan-2-ylmorpholin-4-yl)propan-2-amine;hydrochloride
CID 120848835
N,2,2-trimethyl-1-(4-propylmorpholin-2-yl)propan-1-amine
CID 79658249
N-ethyl-1-(4-ethylmorpholin-2-yl)-2,2-dimethylpropan-1-amine
CID 79668725
N,2-dimethyl-1-(2-methylmorpholin-4-yl)propan-2-amine
CID 62848033
[1-(4-ethylmorpholin-2-yl)-4,4,4-trifluorobutyl]hydrazine
CID 105247461
2-methyl-1-morpholin-4-ylpropan-2-amine;dihydrochloride
CID 118511951
1-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropan-2-amine;hydrochloride
CID 120849628
1-[2-(4-bromophenyl)morpholin-4-yl]-2-methylpropan-2-amine;hydrochloride
CID 120847988
1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholin-2-yl]ethanamine
CID 112590973
(2R)-4-ethyl-2-[(1R)-1-methoxyethyl]morpholine
CID 177158500
1-(4-propylmorpholin-2-yl)ethanamine
CID 79658084
4-[2-(1-aminoethyl)morpholin-4-yl]-N-methylbutanamide
CID 115315500

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-[4-(2-amino-2-methylpropyl)morpholin-2-yl]-2,2,2-trifluoroethyl]-4-N-tert-butyl-2-methylpentane-2,4-diamine?
The IUPAC name of 2-N-[1-[4-(2-amino-2-methylpropyl)morpholin-2-yl]-2,2,2-trifluoroethyl]-4-N-tert-butyl-2-methylpentane-2,4-diamine (CID 138659084) is 2-N-[1-[4-(2-amino-2-methylpropyl)morpholin-2-yl]-2,2,2-trifluoroethyl]-4-N-tert-butyl-2-methylpentane-2,4-diamine.
What is the SMILES notation for 2-N-[1-[4-(2-amino-2-methylpropyl)morpholin-2-yl]-2,2,2-trifluoroethyl]-4-N-tert-butyl-2-methylpentane-2,4-diamine?
The canonical SMILES for 2-N-[1-[4-(2-amino-2-methylpropyl)morpholin-2-yl]-2,2,2-trifluoroethyl]-4-N-tert-butyl-2-methylpentane-2,4-diamine is CC(CC(C)(C)NC(C1CN(CC(C)(C)N)CCO1)C(F)(F)F)NC(C)(C)C.
What is the InChIKey of 2-N-[1-[4-(2-amino-2-methylpropyl)morpholin-2-yl]-2,2,2-trifluoroethyl]-4-N-tert-butyl-2-methylpentane-2,4-diamine?
The InChIKey is AQWKWIWUIAXSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41F3N4O/c1-14(25-17(2,3)4)11-19(7,8)26-16(20(21,22)23)15-12-27(9-10-28-15)13-18(5,6)24/h14-16,25-26H,9-13,24H2,1-8H3.
What are the key properties of 2-N-[1-[4-(2-amino-2-methylpropyl)morpholin-2-yl]-2,2,2-trifluoroethyl]-4-N-tert-butyl-2-methylpentane-2,4-diamine?
2-N-[1-[4-(2-amino-2-methylpropyl)morpholin-2-yl]-2,2,2-trifluoroethyl]-4-N-tert-butyl-2-methylpentane-2,4-diamine has a molecular weight of 410.57 g/mol, XLogP of 2.89, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-[4-(2-amino-2-methylpropyl)morpholin-2-yl]-2,2,2-trifluoroethyl]-4-N-tert-butyl-2-methylpentane-2,4-diamine is sourced from PubChem (CID 138659084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).