propan-2-yl (propan-2-ylamino)methyl carbonate

C8H17NO3 — CID 59502371

IUPACpropan-2-yl (propan-2-ylamino)methyl carbonate
SMILESCC(C)NCOC(=O)OC(C)C
InChIInChI=1S/C8H17NO3/c1-6(2)9-5-11-8(10)12-7(3)4/h6-7,9H,5H2,1-4H3
InChIKeyULXOTSQVGMDQBP-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.50
Rot. Bonds4

About propan-2-yl (propan-2-ylamino)methyl carbonate

propan-2-yl (propan-2-ylamino)methyl carbonate (PubChem CID 59502371) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is propan-2-yl (propan-2-ylamino)methyl carbonate.

Molecular Properties

Compound Namepropan-2-yl (propan-2-ylamino)methyl carbonate
PubChem CID59502371
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Namepropan-2-yl (propan-2-ylamino)methyl carbonate
SMILESCC(C)NCOC(=O)OC(C)C
InChIInChI=1S/C8H17NO3/c1-6(2)9-5-11-8(10)12-7(3)4/h6-7,9H,5H2,1-4H3
InChIKeyULXOTSQVGMDQBP-UHFFFAOYSA-N
XLogP1.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methane;methoxymethyl propan-2-yl carbonate
CID 158647197
2-bromoethyl propan-2-yl carbonate
CID 103970527
propan-2-yl 2-(2-propan-2-yloxycarbonyloxyethylsulfonyl)ethyl carbonate
CID 90011533
(1-hydroxycyclopropyl)methyl propan-2-yl carbonate
CID 141497433
propan-2-yl (propan-2-yloxycarbonylamino) carbonate
CID 12985743
(1-aminocycloheptyl)methyl propan-2-yl carbonate
CID 79337960
di(propan-2-yloxy)phosphorylmethyl propan-2-yl carbonate
CID 12810488
pentan-3-yloxymethyl propan-2-yl carbonate
CID 89141057
ethyl [1-oxo-1-(propan-2-ylamino)propan-2-yl] carbonate
CID 176773342
propan-2-yl 2-methoxycarbonyloxyacetate
CID 139642714
propan-2-yl (2S)-2-(ethylamino)propanoate
CID 134571850
cyclohexane;hydroxy propan-2-yl carbonate
CID 174791698

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (propan-2-ylamino)methyl carbonate?
The IUPAC name of propan-2-yl (propan-2-ylamino)methyl carbonate (CID 59502371) is propan-2-yl (propan-2-ylamino)methyl carbonate.
What is the SMILES notation for propan-2-yl (propan-2-ylamino)methyl carbonate?
The canonical SMILES for propan-2-yl (propan-2-ylamino)methyl carbonate is CC(C)NCOC(=O)OC(C)C.
What is the InChIKey of propan-2-yl (propan-2-ylamino)methyl carbonate?
The InChIKey is ULXOTSQVGMDQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-6(2)9-5-11-8(10)12-7(3)4/h6-7,9H,5H2,1-4H3.
What are the key properties of propan-2-yl (propan-2-ylamino)methyl carbonate?
propan-2-yl (propan-2-ylamino)methyl carbonate has a molecular weight of 175.23 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (propan-2-ylamino)methyl carbonate is sourced from PubChem (CID 59502371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).