(4S)-4-(tert-butylamino)-2,2-dimethyl-7-morpholin-4-ylheptan-3-one

C17H34N2O2 — CID 176762057

IUPAC(4S)-4-(tert-butylamino)-2,2-dimethyl-7-morpholin-4-ylheptan-3-one
SMILESCC(C)(C)N[C@@H](CCCN1CCOCC1)C(=O)C(C)(C)C
InChIInChI=1S/C17H34N2O2/c1-16(2,3)15(20)14(18-17(4,5)6)8-7-9-19-10-12-21-13-11-19/h14,18H,7-13H2,1-6H3/t14-/m0/s1
InChIKeyLVCFKPOXJNGWOJ-AWEZNQCLSA-N
MW298.47 g/mol
LogP2.47
Rot. Bonds6

About (4S)-4-(tert-butylamino)-2,2-dimethyl-7-morpholin-4-ylheptan-3-one

(4S)-4-(tert-butylamino)-2,2-dimethyl-7-morpholin-4-ylheptan-3-one (PubChem CID 176762057) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is (4S)-4-(tert-butylamino)-2,2-dimethyl-7-morpholin-4-ylheptan-3-one.

Molecular Properties

Compound Name(4S)-4-(tert-butylamino)-2,2-dimethyl-7-morpholin-4-ylheptan-3-one
PubChem CID176762057
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name(4S)-4-(tert-butylamino)-2,2-dimethyl-7-morpholin-4-ylheptan-3-one
SMILESCC(C)(C)N[C@@H](CCCN1CCOCC1)C(=O)C(C)(C)C
InChIInChI=1S/C17H34N2O2/c1-16(2,3)15(20)14(18-17(4,5)6)8-7-9-19-10-12-21-13-11-19/h14,18H,7-13H2,1-6H3/t14-/m0/s1
InChIKeyLVCFKPOXJNGWOJ-AWEZNQCLSA-N
XLogP2.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-morpholin-4-ylpentanoic acid
CID 20751269
2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-morpholin-4-ylpentanoic acid
CID 146596312
(Z,5S)-3,5-dimethyl-8-morpholin-4-yloct-2-en-4-one
CID 165399164
18-morpholin-4-yloctadecan-7-ol
CID 154324774
(4R)-7-(azetidin-1-yl)-4-fluoro-2,2-dimethylheptan-3-one
CID 146214051
2,2-dimethyl-5-morpholin-4-ylpentanoic acid
CID 65254938
2,2-dimethyl-6-morpholin-4-ylhexanoic acid
CID 106713869
formic acid;4-(4-methylpentyl)morpholine
CID 172564161
2-methyl-2-(3-morpholin-4-ylpropylamino)butanoic acid
CID 114994322
(4S)-4-(tert-butylamino)-6-methoxy-2,2-dimethylhexan-3-one
CID 138500390
ethyl (2S)-2-(2,2-dimethylpropanoylamino)-4-morpholin-4-ylbutanoate
CID 122454826
2-(methylamino)-4-morpholin-4-ylbutanoic acid
CID 63029138

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(tert-butylamino)-2,2-dimethyl-7-morpholin-4-ylheptan-3-one?
The IUPAC name of (4S)-4-(tert-butylamino)-2,2-dimethyl-7-morpholin-4-ylheptan-3-one (CID 176762057) is (4S)-4-(tert-butylamino)-2,2-dimethyl-7-morpholin-4-ylheptan-3-one.
What is the SMILES notation for (4S)-4-(tert-butylamino)-2,2-dimethyl-7-morpholin-4-ylheptan-3-one?
The canonical SMILES for (4S)-4-(tert-butylamino)-2,2-dimethyl-7-morpholin-4-ylheptan-3-one is CC(C)(C)N[C@@H](CCCN1CCOCC1)C(=O)C(C)(C)C.
What is the InChIKey of (4S)-4-(tert-butylamino)-2,2-dimethyl-7-morpholin-4-ylheptan-3-one?
The InChIKey is LVCFKPOXJNGWOJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-16(2,3)15(20)14(18-17(4,5)6)8-7-9-19-10-12-21-13-11-19/h14,18H,7-13H2,1-6H3/t14-/m0/s1.
What are the key properties of (4S)-4-(tert-butylamino)-2,2-dimethyl-7-morpholin-4-ylheptan-3-one?
(4S)-4-(tert-butylamino)-2,2-dimethyl-7-morpholin-4-ylheptan-3-one has a molecular weight of 298.47 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(tert-butylamino)-2,2-dimethyl-7-morpholin-4-ylheptan-3-one is sourced from PubChem (CID 176762057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).