(4-amino-4-imino-2,3-dimethylbutan-2-yl) carbamate

C7H15N3O2 — CID 174596017

IUPAC(4-amino-4-imino-2,3-dimethylbutan-2-yl) carbamate
SMILES[H]/N=C(\N)C(C)C(C)(C)OC(N)=O
InChIInChI=1S/C7H15N3O2/c1-4(5(8)9)7(2,3)12-6(10)11/h4H,1-3H3,(H3,8,9)(H2,10,11)
InChIKeyJWSWDJFCQDIMNY-UHFFFAOYSA-N
MW173.22 g/mol
LogP0.43
Rot. Bonds3

About (4-amino-4-imino-2,3-dimethylbutan-2-yl) carbamate

(4-amino-4-imino-2,3-dimethylbutan-2-yl) carbamate (PubChem CID 174596017) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is (4-amino-4-imino-2,3-dimethylbutan-2-yl) carbamate.

Molecular Properties

Compound Name(4-amino-4-imino-2,3-dimethylbutan-2-yl) carbamate
PubChem CID174596017
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name(4-amino-4-imino-2,3-dimethylbutan-2-yl) carbamate
SMILES[H]/N=C(\N)C(C)C(C)(C)OC(N)=O
InChIInChI=1S/C7H15N3O2/c1-4(5(8)9)7(2,3)12-6(10)11/h4H,1-3H3,(H3,8,9)(H2,10,11)
InChIKeyJWSWDJFCQDIMNY-UHFFFAOYSA-N
XLogP0.43
TPSA102.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethylbutan-2-yl carbamate
CID 20975410
[(4S)-4-methanimidoyl-2,3-dimethylhexan-2-yl] carbamate
CID 174590998
tert-butyl N-(1,2-diamino-2-iminoethyl)carbamate
CID 87503014
[(4R)-4-methanimidoyl-2,3-dimethylhexan-2-yl] carbamate;hydrochloride
CID 174605763
(2-carbamoyloxy-3-methylbutan-2-yl) carbamate
CID 54113594
2-methylpropanimidamide;hydrochloride
CID 2782053
(4-amino-3-hydroxy-4-iminobutan-2-yl) carbamate
CID 175155261
tert-butyl N-(1-amino-1-imino-4-methylpentan-2-yl)carbamate
CID 61428279
(6-imino-2,4-dimethyl-5-oxohexan-2-yl) carbamate
CID 174513579
tert-butyl N-(1-amino-1-imino-3-methylpentan-2-yl)carbamate;hydrochloride
CID 137320121
tert-butyl 2-[(1-amino-1-imino-3,3-dimethylbutan-2-yl)carbamoyloxy]acetate
CID 162368164
carbamoyl 2,2-dimethylpropanimidate
CID 144873528

Frequently Asked Questions

What is the IUPAC name of (4-amino-4-imino-2,3-dimethylbutan-2-yl) carbamate?
The IUPAC name of (4-amino-4-imino-2,3-dimethylbutan-2-yl) carbamate (CID 174596017) is (4-amino-4-imino-2,3-dimethylbutan-2-yl) carbamate.
What is the SMILES notation for (4-amino-4-imino-2,3-dimethylbutan-2-yl) carbamate?
The canonical SMILES for (4-amino-4-imino-2,3-dimethylbutan-2-yl) carbamate is [H]/N=C(\N)C(C)C(C)(C)OC(N)=O.
What is the InChIKey of (4-amino-4-imino-2,3-dimethylbutan-2-yl) carbamate?
The InChIKey is JWSWDJFCQDIMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-4(5(8)9)7(2,3)12-6(10)11/h4H,1-3H3,(H3,8,9)(H2,10,11).
What are the key properties of (4-amino-4-imino-2,3-dimethylbutan-2-yl) carbamate?
(4-amino-4-imino-2,3-dimethylbutan-2-yl) carbamate has a molecular weight of 173.22 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-4-imino-2,3-dimethylbutan-2-yl) carbamate is sourced from PubChem (CID 174596017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).