[3-(butylamino)-2,2-dimethylpropyl] carbamate

C10H22N2O2 — CID 87971522

IUPAC[3-(butylamino)-2,2-dimethylpropyl] carbamate
SMILESCCCCNCC(C)(C)COC(N)=O
InChIInChI=1S/C10H22N2O2/c1-4-5-6-12-7-10(2,3)8-14-9(11)13/h12H,4-8H2,1-3H3,(H2,11,13)
InChIKeyRXBDIZCGUYUKHL-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.50
Rot. Bonds7

About [3-(butylamino)-2,2-dimethylpropyl] carbamate

[3-(butylamino)-2,2-dimethylpropyl] carbamate (PubChem CID 87971522) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is [3-(butylamino)-2,2-dimethylpropyl] carbamate.

Molecular Properties

Compound Name[3-(butylamino)-2,2-dimethylpropyl] carbamate
PubChem CID87971522
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name[3-(butylamino)-2,2-dimethylpropyl] carbamate
SMILESCCCCNCC(C)(C)COC(N)=O
InChIInChI=1S/C10H22N2O2/c1-4-5-6-12-7-10(2,3)8-14-9(11)13/h12H,4-8H2,1-3H3,(H2,11,13)
InChIKeyRXBDIZCGUYUKHL-UHFFFAOYSA-N
XLogP1.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.50
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

[3-(butylamino)-2,2-dimethylpropyl]urea
CID 22381207
[3-(butylamino)-2-(butylaminomethyl)-2-methylpropyl] N-ethylcarbamate
CID 87800600
bis([2,2-dimethyl-3-(pentylamino)propyl] 4-aminobenzoate);sulfuric acid
CID 24843514
acetamide;N-butylbutan-1-amine
CID 172792447
N-(3-ethoxy-2,2-dimethylpropyl)hexadecan-1-amine
CID 162756651
ethane;N-(3-ethoxy-2,2-dimethylpropyl)hexadecan-1-amine
CID 162756650
2,2-dimethyl-N-pentylbutan-1-amine
CID 103698372
5-[(3-hydroxy-2,2-dimethylpropyl)amino]pentanamide
CID 106233905
2-(butylamino)ethyl 2,2-dimethylpropanoate
CID 82532408
N-butylbutan-1-amine;1,1-diaminourea
CID 174864896
N-ethylbutan-1-amine;prop-2-enamide
CID 158418621
2,2-dimethyl-N-octadecyloctadecan-1-amine
CID 172556284

Frequently Asked Questions

What is the IUPAC name of [3-(butylamino)-2,2-dimethylpropyl] carbamate?
The IUPAC name of [3-(butylamino)-2,2-dimethylpropyl] carbamate (CID 87971522) is [3-(butylamino)-2,2-dimethylpropyl] carbamate.
What is the SMILES notation for [3-(butylamino)-2,2-dimethylpropyl] carbamate?
The canonical SMILES for [3-(butylamino)-2,2-dimethylpropyl] carbamate is CCCCNCC(C)(C)COC(N)=O.
What is the InChIKey of [3-(butylamino)-2,2-dimethylpropyl] carbamate?
The InChIKey is RXBDIZCGUYUKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-4-5-6-12-7-10(2,3)8-14-9(11)13/h12H,4-8H2,1-3H3,(H2,11,13).
What are the key properties of [3-(butylamino)-2,2-dimethylpropyl] carbamate?
[3-(butylamino)-2,2-dimethylpropyl] carbamate has a molecular weight of 202.30 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(butylamino)-2,2-dimethylpropyl] carbamate is sourced from PubChem (CID 87971522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).