3,3-dimethyl-6-(3-methylmorpholin-4-yl)hexan-1-amine

C13H28N2O — CID 65295808

IUPAC3,3-dimethyl-6-(3-methylmorpholin-4-yl)hexan-1-amine
SMILESCC1COCCN1CCCC(C)(C)CCN
InChIInChI=1S/C13H28N2O/c1-12-11-16-10-9-15(12)8-4-5-13(2,3)6-7-14/h12H,4-11,14H2,1-3H3
InChIKeyPFMOWFJLDVRGAY-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.86
Rot. Bonds6

About 3,3-dimethyl-6-(3-methylmorpholin-4-yl)hexan-1-amine

3,3-dimethyl-6-(3-methylmorpholin-4-yl)hexan-1-amine (PubChem CID 65295808) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3,3-dimethyl-6-(3-methylmorpholin-4-yl)hexan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-6-(3-methylmorpholin-4-yl)hexan-1-amine
PubChem CID65295808
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3,3-dimethyl-6-(3-methylmorpholin-4-yl)hexan-1-amine
SMILESCC1COCCN1CCCC(C)(C)CCN
InChIInChI=1S/C13H28N2O/c1-12-11-16-10-9-15(12)8-4-5-13(2,3)6-7-14/h12H,4-11,14H2,1-3H3
InChIKeyPFMOWFJLDVRGAY-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Ethyl-2-(morpholin-4-yl)pentan-1-amine
CID 16228000
3,3-Dimethyl-1-(morpholin-4-yl)butan-2-amine
CID 16788911
(2-Methoxyethyl)(methyl)[3-(piperidin-4-yl)propyl]amine
CID 62212503
(2S,3S)-3-methyl-1-morpholin-4-ylpentan-2-amine
CID 28406548
(2S)-3,3-dimethyl-1-morpholin-4-ylbutan-2-amine
CID 30817605
1-[1-(Morpholin-4-yl)cyclopentyl]ethan-1-amine
CID 54595572
4-[(4-Methylpiperidin-4-yl)methyl]morpholine
CID 63122997
3,3-dimethyl-N-(3-morpholin-4-ylbutan-2-yl)butan-1-amine
CID 86804297
rac-(1R,3R)-3-(morpholin-4-yl)spiro[3.3]heptan-1-amine, trans
CID 122164350
1-[1-(Oxolan-3-yl)-4-(trifluoromethyl)piperidin-4-yl]propan-1-amine
CID 170588948
7-(2-Methoxyethyl)-2,7-diazaspiro[4.5]decane
CID 56882262
1-[1-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine
CID 63849084

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-(3-methylmorpholin-4-yl)hexan-1-amine?
The IUPAC name of 3,3-dimethyl-6-(3-methylmorpholin-4-yl)hexan-1-amine (CID 65295808) is 3,3-dimethyl-6-(3-methylmorpholin-4-yl)hexan-1-amine.
What is the SMILES notation for 3,3-dimethyl-6-(3-methylmorpholin-4-yl)hexan-1-amine?
The canonical SMILES for 3,3-dimethyl-6-(3-methylmorpholin-4-yl)hexan-1-amine is CC1COCCN1CCCC(C)(C)CCN.
What is the InChIKey of 3,3-dimethyl-6-(3-methylmorpholin-4-yl)hexan-1-amine?
The InChIKey is PFMOWFJLDVRGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-12-11-16-10-9-15(12)8-4-5-13(2,3)6-7-14/h12H,4-11,14H2,1-3H3.
What are the key properties of 3,3-dimethyl-6-(3-methylmorpholin-4-yl)hexan-1-amine?
3,3-dimethyl-6-(3-methylmorpholin-4-yl)hexan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-(3-methylmorpholin-4-yl)hexan-1-amine is sourced from PubChem (CID 65295808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).