(2-amino-3,5,5-trimethylhexyl) carbamate

C10H22N2O2 — CID 174805404

IUPAC(2-amino-3,5,5-trimethylhexyl) carbamate
SMILESCC(CC(C)(C)C)C(N)COC(N)=O
InChIInChI=1S/C10H22N2O2/c1-7(5-10(2,3)4)8(11)6-14-9(12)13/h7-8H,5-6,11H2,1-4H3,(H2,12,13)
InChIKeyYSLOKYVIGLFWGJ-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.48
Rot. Bonds4

About (2-amino-3,5,5-trimethylhexyl) carbamate

(2-amino-3,5,5-trimethylhexyl) carbamate (PubChem CID 174805404) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (2-amino-3,5,5-trimethylhexyl) carbamate.

Molecular Properties

Compound Name(2-amino-3,5,5-trimethylhexyl) carbamate
PubChem CID174805404
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name(2-amino-3,5,5-trimethylhexyl) carbamate
SMILESCC(CC(C)(C)C)C(N)COC(N)=O
InChIInChI=1S/C10H22N2O2/c1-7(5-10(2,3)4)8(11)6-14-9(12)13/h7-8H,5-6,11H2,1-4H3,(H2,12,13)
InChIKeyYSLOKYVIGLFWGJ-UHFFFAOYSA-N
XLogP1.48
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4,6,6-trimethylheptanoic acid
CID 83907086
[(2R)-2-hydroxy-3,3-dimethylbutyl] carbamate
CID 175027230
(2R)-2-amino-3,5,5-trimethylhexanoic acid
CID 175049210
[(2S)-2-amino-3-methylbutyl] 2,2-dimethylpropanoate
CID 89201508
(2R)-2-amino-4,4-dimethylpentanamide
CID 59001111
2-iodopropyl carbamate
CID 87289235
2,3-bis(4,4-dimethylpentan-2-yl)butanedioic acid
CID 151564398
4-(4,4-dimethylpentan-2-yloxy)-3-hydroxybutanamide
CID 138701587
2,2-dimethylpropyl (2R)-2-aminopropanoate
CID 86662579
methyl (3R,4S)-3-amino-6-hydroxy-4,6-dimethylheptanoate
CID 101480223
4,4-dimethyl-2-(propan-2-ylamino)pentanamide
CID 62950415
[(2S)-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate
CID 87120669

Frequently Asked Questions

What is the IUPAC name of (2-amino-3,5,5-trimethylhexyl) carbamate?
The IUPAC name of (2-amino-3,5,5-trimethylhexyl) carbamate (CID 174805404) is (2-amino-3,5,5-trimethylhexyl) carbamate.
What is the SMILES notation for (2-amino-3,5,5-trimethylhexyl) carbamate?
The canonical SMILES for (2-amino-3,5,5-trimethylhexyl) carbamate is CC(CC(C)(C)C)C(N)COC(N)=O.
What is the InChIKey of (2-amino-3,5,5-trimethylhexyl) carbamate?
The InChIKey is YSLOKYVIGLFWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-7(5-10(2,3)4)8(11)6-14-9(12)13/h7-8H,5-6,11H2,1-4H3,(H2,12,13).
What are the key properties of (2-amino-3,5,5-trimethylhexyl) carbamate?
(2-amino-3,5,5-trimethylhexyl) carbamate has a molecular weight of 202.30 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3,5,5-trimethylhexyl) carbamate is sourced from PubChem (CID 174805404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).