N-[1-(dimethylamino)-4-methylpentan-2-yl]morpholine-2-carboxamide;dihydrochloride

C13H29Cl2N3O2 — CID 119855874

IUPACN-[1-(dimethylamino)-4-methylpentan-2-yl]morpholine-2-carboxamide;dihydrochloride
SMILESCC(C)CC(CN(C)C)NC(=O)C1CNCCO1.Cl.Cl
InChIInChI=1S/C13H27N3O2.2ClH/c1-10(2)7-11(9-16(3)4)15-13(17)12-8-14-5-6-18-12;;/h10-12,14H,5-9H2,1-4H3,(H,15,17);2*1H
InChIKeyJPOIESLJYAQPTL-UHFFFAOYSA-N
MW330.30 g/mol
LogP0.91
Rot. Bonds6

About N-[1-(dimethylamino)-4-methylpentan-2-yl]morpholine-2-carboxamide;dihydrochloride

N-[1-(dimethylamino)-4-methylpentan-2-yl]morpholine-2-carboxamide;dihydrochloride (PubChem CID 119855874) has the molecular formula C13H29Cl2N3O2 and a molecular weight of 330.30 g/mol. Its IUPAC name is N-[1-(dimethylamino)-4-methylpentan-2-yl]morpholine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(dimethylamino)-4-methylpentan-2-yl]morpholine-2-carboxamide;dihydrochloride
PubChem CID119855874
Molecular FormulaC13H29Cl2N3O2
Molecular Weight330.30 g/mol
Exact Mass329.16
IUPAC NameN-[1-(dimethylamino)-4-methylpentan-2-yl]morpholine-2-carboxamide;dihydrochloride
SMILESCC(C)CC(CN(C)C)NC(=O)C1CNCCO1.Cl.Cl
InChIInChI=1S/C13H27N3O2.2ClH/c1-10(2)7-11(9-16(3)4)15-13(17)12-8-14-5-6-18-12;;/h10-12,14H,5-9H2,1-4H3,(H,15,17);2*1H
InChIKeyJPOIESLJYAQPTL-UHFFFAOYSA-N
XLogP0.91
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropylpropan-2-yl)morpholine-2-carboxamide;hydrochloride
CID 119784606
N-[(2S)-1-hydroxybutan-2-yl]morpholine-2-carboxamide
CID 107222342
(2R,5S)-5-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 102944797
(3S,4S)-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 114084712
N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
CID 95159056
N-[(2R)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
CID 95159057
N-[2-[methyl(propan-2-yl)amino]ethyl]morpholine-2-carboxamide
CID 62641152
N-[(2R)-1-amino-1-oxopropan-2-yl]morpholine-2-carboxamide
CID 130549246
(2R)-N-(1-cyclopropylethyl)morpholine-2-carboxamide
CID 131110683
N-[1-(2-methoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide
CID 119816799
methyl (2R)-2-(morpholine-2-carbonylamino)propanoate
CID 119781299
(2R)-N-(2-aminopropyl)morpholine-2-carboxamide;hydrochloride
CID 130680040

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-4-methylpentan-2-yl]morpholine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[1-(dimethylamino)-4-methylpentan-2-yl]morpholine-2-carboxamide;dihydrochloride (CID 119855874) is N-[1-(dimethylamino)-4-methylpentan-2-yl]morpholine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[1-(dimethylamino)-4-methylpentan-2-yl]morpholine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[1-(dimethylamino)-4-methylpentan-2-yl]morpholine-2-carboxamide;dihydrochloride is CC(C)CC(CN(C)C)NC(=O)C1CNCCO1.Cl.Cl.
What is the InChIKey of N-[1-(dimethylamino)-4-methylpentan-2-yl]morpholine-2-carboxamide;dihydrochloride?
The InChIKey is JPOIESLJYAQPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2.2ClH/c1-10(2)7-11(9-16(3)4)15-13(17)12-8-14-5-6-18-12;;/h10-12,14H,5-9H2,1-4H3,(H,15,17);2*1H.
What are the key properties of N-[1-(dimethylamino)-4-methylpentan-2-yl]morpholine-2-carboxamide;dihydrochloride?
N-[1-(dimethylamino)-4-methylpentan-2-yl]morpholine-2-carboxamide;dihydrochloride has a molecular weight of 330.30 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-4-methylpentan-2-yl]morpholine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119855874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).