(1-amino-4,4-dimethylpentan-2-yl) N-methylcarbamate

C9H20N2O2 — CID 130454785

IUPAC(1-amino-4,4-dimethylpentan-2-yl) N-methylcarbamate
SMILESCNC(=O)OC(CN)CC(C)(C)C
InChIInChI=1S/C9H20N2O2/c1-9(2,3)5-7(6-10)13-8(12)11-4/h7H,5-6,10H2,1-4H3,(H,11,12)
InChIKeyLGJNJHKUFWXIHY-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.11
Rot. Bonds3

About (1-amino-4,4-dimethylpentan-2-yl) N-methylcarbamate

(1-amino-4,4-dimethylpentan-2-yl) N-methylcarbamate (PubChem CID 130454785) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (1-amino-4,4-dimethylpentan-2-yl) N-methylcarbamate.

Molecular Properties

Compound Name(1-amino-4,4-dimethylpentan-2-yl) N-methylcarbamate
PubChem CID130454785
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name(1-amino-4,4-dimethylpentan-2-yl) N-methylcarbamate
SMILESCNC(=O)OC(CN)CC(C)(C)C
InChIInChI=1S/C9H20N2O2/c1-9(2,3)5-7(6-10)13-8(12)11-4/h7H,5-6,10H2,1-4H3,(H,11,12)
InChIKeyLGJNJHKUFWXIHY-UHFFFAOYSA-N
XLogP1.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-amino-3-cyclohexylpropan-2-yl) N-methylcarbamate
CID 130454840
[(2S)-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate
CID 87120669
[3-ethoxy-2-(methylcarbamoyloxy)propyl] N-methylcarbamate
CID 59021341
[3-methoxy-2-(methylcarbamoyloxy)propyl] formate
CID 143975319
2-(aminomethyl)-4,4-dimethyl-N-[(2-methylpropan-2-yl)oxy]pentanamide
CID 107472596
2,2-dimethylhexan-3-yl N-methylcarbamate
CID 175749324
2-(methylcarbamoyloxy)propyl N-methylcarbamate
CID 129287341
methyl 4,4-dimethyl-2-(methylamino)pentanoate
CID 62949491
[(2R)-1-hydroxy-4,4-dimethylpentan-2-yl] acetate
CID 11805240
1-hydroxyethyl N-methylcarbamate
CID 21270273
(2S)-N,2,4,4-tetramethylpentanamide
CID 58247049
methyl (2R)-2-hydroxy-4,4-dimethylpentanoate
CID 59424547

Frequently Asked Questions

What is the IUPAC name of (1-amino-4,4-dimethylpentan-2-yl) N-methylcarbamate?
The IUPAC name of (1-amino-4,4-dimethylpentan-2-yl) N-methylcarbamate (CID 130454785) is (1-amino-4,4-dimethylpentan-2-yl) N-methylcarbamate.
What is the SMILES notation for (1-amino-4,4-dimethylpentan-2-yl) N-methylcarbamate?
The canonical SMILES for (1-amino-4,4-dimethylpentan-2-yl) N-methylcarbamate is CNC(=O)OC(CN)CC(C)(C)C.
What is the InChIKey of (1-amino-4,4-dimethylpentan-2-yl) N-methylcarbamate?
The InChIKey is LGJNJHKUFWXIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-9(2,3)5-7(6-10)13-8(12)11-4/h7H,5-6,10H2,1-4H3,(H,11,12).
What are the key properties of (1-amino-4,4-dimethylpentan-2-yl) N-methylcarbamate?
(1-amino-4,4-dimethylpentan-2-yl) N-methylcarbamate has a molecular weight of 188.27 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-4,4-dimethylpentan-2-yl) N-methylcarbamate is sourced from PubChem (CID 130454785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).