(6-amino-2,6-dimethylheptan-2-yl) carbamate;hydrochloride

C10H23ClN2O2 — CID 162340751

IUPAC(6-amino-2,6-dimethylheptan-2-yl) carbamate;hydrochloride
SMILESCC(C)(N)CCCC(C)(C)OC(N)=O.Cl
InChIInChI=1S/C10H22N2O2.ClH/c1-9(2,12)6-5-7-10(3,4)14-8(11)13;/h5-7,12H2,1-4H3,(H2,11,13);1H
InChIKeyGIYXWVKBERKAQF-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.19
Rot. Bonds5

About (6-amino-2,6-dimethylheptan-2-yl) carbamate;hydrochloride

(6-amino-2,6-dimethylheptan-2-yl) carbamate;hydrochloride (PubChem CID 162340751) has the molecular formula C10H23ClN2O2 and a molecular weight of 238.76 g/mol. Its IUPAC name is (6-amino-2,6-dimethylheptan-2-yl) carbamate;hydrochloride.

Molecular Properties

Compound Name(6-amino-2,6-dimethylheptan-2-yl) carbamate;hydrochloride
PubChem CID162340751
Molecular FormulaC10H23ClN2O2
Molecular Weight238.76 g/mol
Exact Mass238.14
IUPAC Name(6-amino-2,6-dimethylheptan-2-yl) carbamate;hydrochloride
SMILESCC(C)(N)CCCC(C)(C)OC(N)=O.Cl
InChIInChI=1S/C10H22N2O2.ClH/c1-9(2,12)6-5-7-10(3,4)14-8(11)13;/h5-7,12H2,1-4H3,(H2,11,13);1H
InChIKeyGIYXWVKBERKAQF-UHFFFAOYSA-N
XLogP2.19
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-2-methylpentan-2-yl) carbamate
CID 150885569
[6-(3-aminopropylamino)-2-methylhexan-2-yl] carbamate
CID 175180105
[(5S)-5-amino-2-methylhexan-2-yl] carbamate
CID 174841923
[(5S)-5-hydroxy-2-methylhexan-2-yl] carbamate
CID 121226929
(4-amino-4-methylpentyl)urea
CID 146343367
2,5-dimethylheptan-2-yl carbamate
CID 123535810
(6-chloro-5-hydroxy-2-methylhexan-2-yl) carbamate
CID 174876825
(2-methyl-1-nitrosopropan-2-yl) carbamate
CID 118038589
[5-(4-formylphenoxy)-2-methylpentan-2-yl] carbamate
CID 175140614
2-methylbutan-2-yl 7-amino-7-methyloctanoate
CID 163421014
(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-2-methyldodecan-2-yl) carbamate
CID 22630725
[2-methyl-4-(3-methylazetidin-3-yl)butan-2-yl] carbamate
CID 175831584

Frequently Asked Questions

What is the IUPAC name of (6-amino-2,6-dimethylheptan-2-yl) carbamate;hydrochloride?
The IUPAC name of (6-amino-2,6-dimethylheptan-2-yl) carbamate;hydrochloride (CID 162340751) is (6-amino-2,6-dimethylheptan-2-yl) carbamate;hydrochloride.
What is the SMILES notation for (6-amino-2,6-dimethylheptan-2-yl) carbamate;hydrochloride?
The canonical SMILES for (6-amino-2,6-dimethylheptan-2-yl) carbamate;hydrochloride is CC(C)(N)CCCC(C)(C)OC(N)=O.Cl.
What is the InChIKey of (6-amino-2,6-dimethylheptan-2-yl) carbamate;hydrochloride?
The InChIKey is GIYXWVKBERKAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2.ClH/c1-9(2,12)6-5-7-10(3,4)14-8(11)13;/h5-7,12H2,1-4H3,(H2,11,13);1H.
What are the key properties of (6-amino-2,6-dimethylheptan-2-yl) carbamate;hydrochloride?
(6-amino-2,6-dimethylheptan-2-yl) carbamate;hydrochloride has a molecular weight of 238.76 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2,6-dimethylheptan-2-yl) carbamate;hydrochloride is sourced from PubChem (CID 162340751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).