(4-aminocyclohex-2-en-1-yl)methyl N-methyl-N-(2-methyl-4-oxopentan-3-yl)carbamate

C15H26N2O3 — CID 155000408

IUPAC(4-aminocyclohex-2-en-1-yl)methyl N-methyl-N-(2-methyl-4-oxopentan-3-yl)carbamate
SMILESCC(=O)C(C(C)C)N(C)C(=O)OCC1C=CC(N)CC1
InChIInChI=1S/C15H26N2O3/c1-10(2)14(11(3)18)17(4)15(19)20-9-12-5-7-13(16)8-6-12/h5,7,10,12-14H,6,8-9,16H2,1-4H3
InChIKeyRDFPNHHTIQAYOB-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.96
Rot. Bonds5

About (4-aminocyclohex-2-en-1-yl)methyl N-methyl-N-(2-methyl-4-oxopentan-3-yl)carbamate

(4-aminocyclohex-2-en-1-yl)methyl N-methyl-N-(2-methyl-4-oxopentan-3-yl)carbamate (PubChem CID 155000408) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is (4-aminocyclohex-2-en-1-yl)methyl N-methyl-N-(2-methyl-4-oxopentan-3-yl)carbamate.

Molecular Properties

Compound Name(4-aminocyclohex-2-en-1-yl)methyl N-methyl-N-(2-methyl-4-oxopentan-3-yl)carbamate
PubChem CID155000408
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(4-aminocyclohex-2-en-1-yl)methyl N-methyl-N-(2-methyl-4-oxopentan-3-yl)carbamate
SMILESCC(=O)C(C(C)C)N(C)C(=O)OCC1C=CC(N)CC1
InChIInChI=1S/C15H26N2O3/c1-10(2)14(11(3)18)17(4)15(19)20-9-12-5-7-13(16)8-6-12/h5,7,10,12-14H,6,8-9,16H2,1-4H3
InChIKeyRDFPNHHTIQAYOB-UHFFFAOYSA-N
XLogP1.96
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-aminocyclohex-2-en-1-yl)methyl N-methyl-N-(2-methyl-4-oxopentan-3-yl)carbamate?
The IUPAC name of (4-aminocyclohex-2-en-1-yl)methyl N-methyl-N-(2-methyl-4-oxopentan-3-yl)carbamate (CID 155000408) is (4-aminocyclohex-2-en-1-yl)methyl N-methyl-N-(2-methyl-4-oxopentan-3-yl)carbamate.
What is the SMILES notation for (4-aminocyclohex-2-en-1-yl)methyl N-methyl-N-(2-methyl-4-oxopentan-3-yl)carbamate?
The canonical SMILES for (4-aminocyclohex-2-en-1-yl)methyl N-methyl-N-(2-methyl-4-oxopentan-3-yl)carbamate is CC(=O)C(C(C)C)N(C)C(=O)OCC1C=CC(N)CC1.
What is the InChIKey of (4-aminocyclohex-2-en-1-yl)methyl N-methyl-N-(2-methyl-4-oxopentan-3-yl)carbamate?
The InChIKey is RDFPNHHTIQAYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-10(2)14(11(3)18)17(4)15(19)20-9-12-5-7-13(16)8-6-12/h5,7,10,12-14H,6,8-9,16H2,1-4H3.
What are the key properties of (4-aminocyclohex-2-en-1-yl)methyl N-methyl-N-(2-methyl-4-oxopentan-3-yl)carbamate?
(4-aminocyclohex-2-en-1-yl)methyl N-methyl-N-(2-methyl-4-oxopentan-3-yl)carbamate has a molecular weight of 282.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclohex-2-en-1-yl)methyl N-methyl-N-(2-methyl-4-oxopentan-3-yl)carbamate is sourced from PubChem (CID 155000408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).