(5-amino-2,2,5-trimethylhexan-3-yl) carbamate

C10H22N2O2 — CID 150297531

IUPAC(5-amino-2,2,5-trimethylhexan-3-yl) carbamate
SMILESCC(C)(N)CC(OC(N)=O)C(C)(C)C
InChIInChI=1S/C10H22N2O2/c1-9(2,3)7(14-8(11)13)6-10(4,5)12/h7H,6,12H2,1-5H3,(H2,11,13)
InChIKeyGIWZOZXUEZKBJY-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.62
Rot. Bonds3

About (5-amino-2,2,5-trimethylhexan-3-yl) carbamate

(5-amino-2,2,5-trimethylhexan-3-yl) carbamate (PubChem CID 150297531) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (5-amino-2,2,5-trimethylhexan-3-yl) carbamate.

Molecular Properties

Compound Name(5-amino-2,2,5-trimethylhexan-3-yl) carbamate
PubChem CID150297531
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name(5-amino-2,2,5-trimethylhexan-3-yl) carbamate
SMILESCC(C)(N)CC(OC(N)=O)C(C)(C)C
InChIInChI=1S/C10H22N2O2/c1-9(2,3)7(14-8(11)13)6-10(4,5)12/h7H,6,12H2,1-5H3,(H2,11,13)
InChIKeyGIWZOZXUEZKBJY-UHFFFAOYSA-N
XLogP1.62
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-chloro-3,3-dimethylbutan-2-yl) carbamate
CID 54122830
(1-amino-4,4-dimethylpentan-3-yl) carbamate;hydrochloride
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(1-cyano-3,3-dimethylbutan-2-yl) carbamate
CID 89240462
2,2-dimethylheptan-3-yl carbamate
CID 175434709
[1-[2-(2-aminoethoxy)ethoxy]-3,3-dimethylbutan-2-yl] carbamate
CID 175096885
[1-(4-aminophenyl)-3,3-dimethylbutan-2-yl] carbamate
CID 67217930
(2-amino-8-hydroxy-2,5,5,6,6,9,9-heptamethyldecan-4-yl) acetate
CID 134314155
[(2S)-3-tert-butyl-3-carbamoyloxy-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate
CID 91312567
[(2S)-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate
CID 87120669
[(2R)-2-hydroxy-3,3-dimethylbutyl] carbamate
CID 175027230
(1-hydroxy-3,3-dimethylhept-6-en-2-yl) carbamate
CID 175585299
[1-(4-aminophenoxy)-4,4-dimethylpentan-3-yl] carbamate
CID 129110948

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,2,5-trimethylhexan-3-yl) carbamate?
The IUPAC name of (5-amino-2,2,5-trimethylhexan-3-yl) carbamate (CID 150297531) is (5-amino-2,2,5-trimethylhexan-3-yl) carbamate.
What is the SMILES notation for (5-amino-2,2,5-trimethylhexan-3-yl) carbamate?
The canonical SMILES for (5-amino-2,2,5-trimethylhexan-3-yl) carbamate is CC(C)(N)CC(OC(N)=O)C(C)(C)C.
What is the InChIKey of (5-amino-2,2,5-trimethylhexan-3-yl) carbamate?
The InChIKey is GIWZOZXUEZKBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-9(2,3)7(14-8(11)13)6-10(4,5)12/h7H,6,12H2,1-5H3,(H2,11,13).
What are the key properties of (5-amino-2,2,5-trimethylhexan-3-yl) carbamate?
(5-amino-2,2,5-trimethylhexan-3-yl) carbamate has a molecular weight of 202.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,2,5-trimethylhexan-3-yl) carbamate is sourced from PubChem (CID 150297531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).