2-methylpentan-2-yl N-(3-hydroxypropyl)carbamate

C10H21NO3 — CID 155665020

IUPAC2-methylpentan-2-yl N-(3-hydroxypropyl)carbamate
SMILESCCCC(C)(C)OC(=O)NCCCO
InChIInChI=1S/C10H21NO3/c1-4-6-10(2,3)14-9(13)11-7-5-8-12/h12H,4-8H2,1-3H3,(H,11,13)
InChIKeyBGNNDULNIQSUTH-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.67
Rot. Bonds6

About 2-methylpentan-2-yl N-(3-hydroxypropyl)carbamate

2-methylpentan-2-yl N-(3-hydroxypropyl)carbamate (PubChem CID 155665020) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-methylpentan-2-yl N-(3-hydroxypropyl)carbamate.

Molecular Properties

Compound Name2-methylpentan-2-yl N-(3-hydroxypropyl)carbamate
PubChem CID155665020
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-methylpentan-2-yl N-(3-hydroxypropyl)carbamate
SMILESCCCC(C)(C)OC(=O)NCCCO
InChIInChI=1S/C10H21NO3/c1-4-6-10(2,3)14-9(13)11-7-5-8-12/h12H,4-8H2,1-3H3,(H,11,13)
InChIKeyBGNNDULNIQSUTH-UHFFFAOYSA-N
XLogP1.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl N-(3-hydroxypropyl)carbamate
CID 57302125
2-methylhexan-2-yl N-(2-oxoethyl)carbamate
CID 138646437
2-(2-methylheptan-2-yloxycarbonylamino)ethylphosphonic acid
CID 58871412
tert-butyl N-butylcarbamate;methane
CID 153346289
tert-butyl N-(4-hydroxybutyl)carbamoperoxoate
CID 142641342
2-methylhexan-2-yl N-aminocarbamate
CID 163750703
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640
ethane;2-methylbutan-2-yl N-nonylcarbamate;molecular hydrogen;propane
CID 144560369
tert-butyl N-nonylcarbamate;ethane
CID 168941348
methyl 4-(2-methylbutan-2-yloxycarbonylamino)butanoate
CID 90076099
4-hydroxy-N-(3-hydroxypropyl)-2,2-dimethylbutanamide
CID 176553127
tert-butyl N-[4-(propylamino)butyl]carbamate
CID 86071285

Frequently Asked Questions

What is the IUPAC name of 2-methylpentan-2-yl N-(3-hydroxypropyl)carbamate?
The IUPAC name of 2-methylpentan-2-yl N-(3-hydroxypropyl)carbamate (CID 155665020) is 2-methylpentan-2-yl N-(3-hydroxypropyl)carbamate.
What is the SMILES notation for 2-methylpentan-2-yl N-(3-hydroxypropyl)carbamate?
The canonical SMILES for 2-methylpentan-2-yl N-(3-hydroxypropyl)carbamate is CCCC(C)(C)OC(=O)NCCCO.
What is the InChIKey of 2-methylpentan-2-yl N-(3-hydroxypropyl)carbamate?
The InChIKey is BGNNDULNIQSUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-4-6-10(2,3)14-9(13)11-7-5-8-12/h12H,4-8H2,1-3H3,(H,11,13).
What are the key properties of 2-methylpentan-2-yl N-(3-hydroxypropyl)carbamate?
2-methylpentan-2-yl N-(3-hydroxypropyl)carbamate has a molecular weight of 203.28 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentan-2-yl N-(3-hydroxypropyl)carbamate is sourced from PubChem (CID 155665020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).